N-[(3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1572 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C18 H20 N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCc1cccc(c1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9327 |
| logD: | 2.9322 |
| logSw: | -3.5762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.692 |
| InChI Key: | OPBRPAQTQWFHKN-GFCCVEGCSA-N |