3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]butanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]butanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]butanamide
Compound characteristics
| Compound ID: | L705-0576 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]butanamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C20 H19 F3 N2 O5 S2 |
| Smiles: | CC(CC(Nc1ccc(cc1)OC(F)(F)F)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4934 |
| logD: | 3.4933 |
| logSw: | -4.0274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.977 |
| InChI Key: | VWTIMKLOZLDOHU-LBPRGKRZSA-N |