5-acetyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0386 |
| Compound Name: | 5-acetyl-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | CC(C)Oc1ccc(CNS(c2ccc3c(c2)N(CCCS3)C(C)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.817 |
| logD: | 3.8169 |
| logSw: | -3.9579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.183 |
| InChI Key: | ZKCDTDYGDPZIDM-UHFFFAOYSA-N |