N-{4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
N-{4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Compound characteristics
| Compound ID: | G115-0097 |
| Compound Name: | N-{4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | CC(Nc1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6678 |
| logD: | 1.6364 |
| logSw: | -2.4222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.302 |
| InChI Key: | HBQBROIKXLXRKB-UHFFFAOYSA-N |