chempirical

Mozavaptan

C27H29N3O2CAS 137975-06-5427.55 g/mol

Open in Covalent MOL file
OHNONN
AmideTertiary amine

Properties

Molecular formula
C27H29N3O2
Molar mass
427.55 g/mol
Exact mass
427.2260 Da
logP
5.29Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
137975-06-5
SMILES
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1
InChIKey
WRNXUQJJCIZICJ-UHFFFAOYSA-N
InChI
InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzamide, N-[4-[[5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-
  • 1H-1-Benzazepine, benzamide deriv.
  • N-[4-[[5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methylbenzamide
  • OPC 31260

Work with Mozavaptan

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

Tolvaptan150683-30-055 % similar Conivaptan hydrochloride168626-94-640 % similar 4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-639 % similar

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

Elsewhere

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