N-(3-methylphenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(3-methylphenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0086 |
| Compound Name: | N-(3-methylphenyl)-2-(2-methyl-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: | CC1CC(N(CC(Nc2cccc(C)c2)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5147 |
| logD: | 2.5147 |
| logSw: | -2.9088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.079 |
| InChI Key: | SJRPOPXWJTUMKS-AWEZNQCLSA-N |