5-acetyl-N-[3-(azepan-1-yl)butyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[3-(azepan-1-yl)butyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[3-(azepan-1-yl)butyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0388 |
| Compound Name: | 5-acetyl-N-[3-(azepan-1-yl)butyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 439.64 |
| Molecular Formula: | C21 H33 N3 O3 S2 |
| Smiles: | CC(CCNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3357 |
| logD: | 0.8158 |
| logSw: | -3.7972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.193 |
| InChI Key: | BQFBXAGTLMHELK-KRWDZBQOSA-N |