5-acetyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0396 |
| Compound Name: | 5-acetyl-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(CN2CCCCC2)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6713 |
| logD: | 2.0894 |
| logSw: | -3.8867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.004 |
| InChI Key: | BHVKSYZYCOSERI-UHFFFAOYSA-N |