N-(2,3-dimethylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
N-(2,3-dimethylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | E975-1709 |
| Compound Name: | N-(2,3-dimethylphenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C20 H23 N3 O4 S2 |
| Smiles: | Cc1cccc(c1C)NC(CN(C)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8613 |
| logD: | 2.861 |
| logSw: | -3.304 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.406 |
| InChI Key: | HHBJDNAZNRNYHA-UHFFFAOYSA-N |