N-(3,5-dimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(3,5-dimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0016 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C19 H20 N2 O4 S |
| Smiles: | [H]C1CC(N(CC(Nc2cc(C)cc(C)c2)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.74 |
| logD: | 2.74 |
| logSw: | -3.314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.625 |
| InChI Key: | KLPPEAKOOKZFSO-UHFFFAOYSA-N |