N-(3-chloro-4-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-chloro-4-methylphenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(3-chloro-4-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: | C867-0103 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C19 H19 Cl N2 O4 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(C)c(c2)[Cl])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.545 |
| logD: | 3.5446 |
| logSw: | -3.744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.079 |
| InChI Key: | CUKQUSLFEKSQBJ-CYBMUJFWSA-N |