N-[4-(trifluoromethoxy)phenyl]-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-[4-(trifluoromethoxy)phenyl]-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-[4-(trifluoromethoxy)phenyl]-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0044 |
| Compound Name: | N-[4-(trifluoromethoxy)phenyl]-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 428.38 |
| Molecular Formula: | C18 H15 F3 N2 O5 S |
| Smiles: | [H]C1CC(N(CC(Nc2ccc(cc2)OC(F)(F)F)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2383 |
| logD: | 3.2383 |
| logSw: | -3.7537 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.562 |
| InChI Key: | VBHVWQSIQBNSKV-UHFFFAOYSA-N |