N-[4-(4-methylpiperidin-1-yl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2832 |
| Compound Name: | N-[4-(4-methylpiperidin-1-yl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | CC1CCN(CC1)c1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6746 |
| logD: | 3.5312 |
| logSw: | -3.9066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.492 |
| InChI Key: | BGDDGAMLGBOLML-UHFFFAOYSA-N |