N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1627 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C22 H28 N2 O5 S2 |
| Smiles: | CCOc1ccc(CCNS(c2ccc3c(c2)NC(CC(C)S3)=O)(=O)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0096 |
| logD: | 3.0092 |
| logSw: | -3.4822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.41 |
| InChI Key: | BRJGDTMDKGIGKO-OAHLLOKOSA-N |