5-acetyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0409 |
| Compound Name: | 5-acetyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 453.67 |
| Molecular Formula: | C22 H35 N3 O3 S2 |
| Smiles: | CC(C)CCN1CCC(CC1)CNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1049 |
| logD: | 1.2875 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.362 |
| InChI Key: | JYGXTDUBLSHKFD-UHFFFAOYSA-N |