4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1661 |
| Compound Name: | 4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | C1CCN(CC1)Cc1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9154 |
| logD: | 1.3335 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.772 |
| InChI Key: | PKUSVFUXAQXQJF-UHFFFAOYSA-N |