5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0049 |
| Compound Name: | 5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C21 H26 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCCc1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8335 |
| logD: | 2.8334 |
| logSw: | -3.5729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.482 |
| InChI Key: | NELDBLLFKRYFOT-UHFFFAOYSA-N |