5-acetyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0316 |
| Compound Name: | 5-acetyl-N-{2-[cyclohexyl(methyl)amino]ethyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C20 H31 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCCN(C)C1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2638 |
| logD: | 2.5413 |
| logSw: | -3.6152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.259 |
| InChI Key: | VHCMJQDWUKWHMI-UHFFFAOYSA-N |