N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
Compound ID: | L705-0613 |
Compound Name: | N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
Molecular Weight: | 418.53 |
Molecular Formula: | C20 H22 N2 O4 S2 |
Smiles: | CC(CC(Nc1cccc(C)c1)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6622 |
logD: | 2.6621 |
logSw: | -3.096 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.04 |
InChI Key: | QNUAYQHJAIDDFS-AWEZNQCLSA-N |