N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0109 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 374.89 |
| Molecular Formula: | C19 H19 Cl N2 O2 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(C)c(c2)[Cl])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8625 |
| logD: | 4.8621 |
| logSw: | -4.8131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.099 |
| InChI Key: | IGVUUJMHBWTXBK-CYBMUJFWSA-N |