2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1639 |
| Compound Name: | 2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C23 H30 N2 O6 S2 |
| Smiles: | CCOc1cc(CNS(c2ccc3c(c2)NC(CC(C)S3)=O)(=O)=O)cc(c1OCC)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5757 |
| logD: | 3.5753 |
| logSw: | -3.7848 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.866 |
| InChI Key: | GXDIZJCGSLTDOH-OAHLLOKOSA-N |