chempirical

Sudexanox

C21H23NO5SCAS 58761-87-8401.48 g/mol

Open in Covalent MOL file
SHNOOOOOH
Carboxylic acid

Properties

Molecular formula
C21H23NO5S
Molar mass
401.48 g/mol
Exact mass
401.1297 Da
logP
4.80Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58761-87-8
SMILES
CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChIKey
DIGXMFZQXQUVMR-UHFFFAOYSA-N
InChI
InChI=1S/C21H23NO5S/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17/h8-12,22H,3-7H2,1-2H3,(H,24,25)

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Work with Sudexanox

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

4-Hexylbenzoic acid21643-38-941 % similar 4-Octylbenzoic acid3575-31-341 % similar 4-Nonylbenzoic acid38289-46-241 % similar 4-Heptylbenzoic acid38350-87-741 % similar 4-Pentylbenzoic acid26311-45-540 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-739 % similar 4-(4′-Hexylphenyl)benzoic acid59662-48-539 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-438 % similar

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

Same formula

(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate132335-47-8

Elsewhere

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