5-acetyl-N-(5-chloro-2,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(5-chloro-2,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(5-chloro-2,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0035 |
| Compound Name: | 5-acetyl-N-(5-chloro-2,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C19 H21 Cl N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1cc(c(cc1OC)OC)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6593 |
| logD: | 1.2446 |
| logSw: | -3.948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.834 |
| InChI Key: | INZJHGCVGHOWGE-UHFFFAOYSA-N |