5-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0289 |
| Compound Name: | 5-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 411.58 |
| Molecular Formula: | C19 H29 N3 O3 S2 |
| Smiles: | CC1CCN(CC1)CCNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9128 |
| logD: | 2.242 |
| logSw: | -3.569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.204 |
| InChI Key: | VOEZYRBPZBZNJF-UHFFFAOYSA-N |