5-acetyl-N-{1-[benzyl(methyl)amino]butan-2-yl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{1-[benzyl(methyl)amino]butan-2-yl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{1-[benzyl(methyl)amino]butan-2-yl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0390 |
| Compound Name: | 5-acetyl-N-{1-[benzyl(methyl)amino]butan-2-yl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 461.64 |
| Molecular Formula: | C23 H31 N3 O3 S2 |
| Smiles: | CCC(CN(C)Cc1ccccc1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1476 |
| logD: | 4.0271 |
| logSw: | -4.0818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.618 |
| InChI Key: | HDQOBGDJVNSSSM-FQEVSTJZSA-N |