5-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0096 |
| Compound Name: | 5-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C20 H24 N2 O6 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1cc(c(c(c1)OC)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4306 |
| logD: | 1.3479 |
| logSw: | -3.0278 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.249 |
| InChI Key: | BBWUFBJGDFNCCR-UHFFFAOYSA-N |