5-acetyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0275 |
| Compound Name: | 5-acetyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C20 H31 N3 O3 S2 |
| Smiles: | CC1CCN(CCCNS(c2ccc3c(c2)N(CCCS3)C(C)=O)(=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9913 |
| logD: | 0.9419 |
| logSw: | -3.5582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.204 |
| InChI Key: | ABNLBZSKQGVVPC-UHFFFAOYSA-N |