5-acetyl-N-ethyl-N-(3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-ethyl-N-(3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-ethyl-N-(3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0100 |
| Compound Name: | 5-acetyl-N-ethyl-N-(3-methylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | CCN(c1cccc(C)c1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1012 |
| logD: | 4.1012 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.172 |
| InChI Key: | NYYBHWIWNTVGJL-UHFFFAOYSA-N |