5-acetyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0020 |
| Compound Name: | 5-acetyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C17 H19 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCc1cccnc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9228 |
| logD: | 1.921 |
| logSw: | -2.2508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.898 |
| InChI Key: | PDRUDXRXNRDULV-UHFFFAOYSA-N |