rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8389 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 361.8 |
| Molecular Formula: | C18 H17 Cl F N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1ccn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | RELATIVE |
| logP: | 3.0624 |
| logD: | 3.0624 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.924 |
| InChI Key: | QHJWTFUZSMUPOH-OKILXGFUSA-N |