5-acetyl-N-{2-[bis(2-methylpropyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{2-[bis(2-methylpropyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{2-[bis(2-methylpropyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0312 |
| Compound Name: | 5-acetyl-N-{2-[bis(2-methylpropyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 441.65 |
| Molecular Formula: | C21 H35 N3 O3 S2 |
| Smiles: | CC(C)CN(CCNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.1939 |
| logD: | 3.2401 |
| logSw: | -4.1161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.455 |
| InChI Key: | XDJZZYRGMGHVGR-UHFFFAOYSA-N |