N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide
Compound characteristics
| Compound ID: | G269-0200 |
| Compound Name: | N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]phenyl}acetamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C19 H21 N3 O4 S2 |
| Smiles: | CC(Nc1ccc(cc1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4237 |
| logD: | 2.3923 |
| logSw: | -2.9737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.533 |
| InChI Key: | YBOYHZLEIGWMSG-UHFFFAOYSA-N |