N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(4-chlorophenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0099 |
| Compound Name: | N-(4-chlorophenyl)-2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C18 H17 Cl N2 O4 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(cc2)[Cl])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7495 |
| logD: | 2.7493 |
| logSw: | -3.4967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.079 |
| InChI Key: | YTSAYHGUKVIKPQ-GFCCVEGCSA-N |