2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C867-0116 |
| Compound Name: | 2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 426.41 |
| Molecular Formula: | C19 H17 F3 N2 O4 S |
| Smiles: | CC1CC(N(CC(Nc2cccc(c2)C(F)(F)F)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.198 |
| logD: | 3.1972 |
| logSw: | -3.6994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.079 |
| InChI Key: | UEROYFNKTCIZCQ-LBPRGKRZSA-N |