N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1854 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C19 H22 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCc1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1869 |
| logD: | 3.1864 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.38 |
| InChI Key: | ATIYPQHUNYDIAK-GFCCVEGCSA-N |