N-(2,5-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2,5-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1552 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Smiles: | COc1ccc(c(c1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.288 |
| logD: | 1.0722 |
| logSw: | -3.0404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.516 |
| InChI Key: | ZJBUTCJAEBOQBO-UHFFFAOYSA-N |