N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2824 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C18 H20 N2 O5 S2 |
| Smiles: | COc1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0096 |
| logD: | 2.0093 |
| logSw: | -2.863 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.409 |
| InChI Key: | YANDUOXXWNUZBA-UHFFFAOYSA-N |