N-{2-methyl-4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}benzamide
Chemical Structure Depiction of
N-{2-methyl-4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}benzamide
N-{2-methyl-4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}benzamide
Compound characteristics
| Compound ID: | G115-0076 |
| Compound Name: | N-{2-methyl-4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}benzamide |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H21 N3 O4 S2 |
| Smiles: | Cc1cc(ccc1NC(c1ccccc1)=O)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3567 |
| logD: | 3.3358 |
| logSw: | -3.6408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.433 |
| InChI Key: | QVFNEZIESITJFT-UHFFFAOYSA-N |