5-acetyl-N-[4-(diethylamino)-2-methylphenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[4-(diethylamino)-2-methylphenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[4-(diethylamino)-2-methylphenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0202 |
| Compound Name: | 5-acetyl-N-[4-(diethylamino)-2-methylphenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C22 H29 N3 O3 S2 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2117 |
| logD: | 3.4719 |
| logSw: | -4.164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.31 |
| InChI Key: | XZYPEIGVSNBAFZ-UHFFFAOYSA-N |