rel-(3aR,7aS)-5-methyl-2-[4-(trifluoromethoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-5-methyl-2-[4-(trifluoromethoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-5-methyl-2-[4-(trifluoromethoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8014-1524 |
| Compound Name: | rel-(3aR,7aS)-5-methyl-2-[4-(trifluoromethoxy)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 325.29 |
| Molecular Formula: | C16 H14 F3 N O3 |
| Smiles: | CC1C[C@@H]2C(N(C([C@@H]2CC=1)=O)c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.7372 |
| logD: | 3.7372 |
| logSw: | -4.1736 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.009 |
| InChI Key: | GUCMWUWXRSMXNW-QWHCGFSZSA-N |