N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((5-methoxy-2-methyl-4-((methylamino)sulphonyl)phenyl)azo)naphthalene-2-carboxamide

C₂₇H₂₄N₆O₆SCAS 61951-98-2560.59 g/mol

Properties

Molecular formula: C₂₇H₂₄N₆O₆S
Molar mass: 560.59 g/mol
Exact mass: 560.1478 Da
logP: 5.40Crippen estimate
Polar surface area: 181.8 Å²
H-bond donors / acceptors: 5 / 9
Rotatable bonds: 7

Hazards

Not classified as hazardous under GHS by 6 ECHA notifiers. Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

61951-98-2

SMILES

CNS(=O)(=O)c1cc(C)c(N=Nc2c(O)c(C(O)=Nc3ccc4nc(O)[nH]c4c3)cc3ccccc23)cc1OC

InChIKey

FQVVGIYUIPHSRR-UHFFFAOYSA-N

InChI

InChI=1S/C27H24N6O6S/c1-14-10-23(40(37,38)28-2)22(39-3)13-20(14)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-21(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)

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Names and synonyms

3 names

N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[5-methoxy-2-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]-2-naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[5-methoxy-2-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]-
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[5-methoxy-2-methyl-4-[(methylamino)sulfonyl]phenyl]azo]-

Work with N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((5-methoxy-2-methyl-4-((methylamino)sulphonyl)phenyl)azo)naphthalene-2-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl 2-[2-[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]benzoate31778-10-656 % similar Pigment red 236471-49-446 % similar 4-((5-(Anilino)carbonyl-2-methoxyphenyl)azo)-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide6448-96-044 % similar Pigment red 226448-95-943 % similar Pigment red 1465280-68-242 % similar Pigment red 126410-32-841 % similar N-(2,4-Dimethylphenyl)-3-hydroxy-4-[2-(2-hydroxyphenyl)diazenyl]-2-naphthalenecarboxamide523-67-140 % similar Pigment red 1126535-46-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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