5-acetyl-N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0348 |
| Compound Name: | 5-acetyl-N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 467.69 |
| Molecular Formula: | C23 H37 N3 O3 S2 |
| Smiles: | CC(C)N(CCCNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4739 |
| logD: | 1.8465 |
| logSw: | -4.082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.063 |
| InChI Key: | XLMODYDYYDREOB-UHFFFAOYSA-N |