rel-(3aR,7aS)-2-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8644 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 343.81 |
| Molecular Formula: | C18 H18 Cl N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1cnn(Cc2cccc(c2)[Cl])c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5472 |
| logD: | 2.5472 |
| logSw: | -3.1433 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.578 |
| InChI Key: | ZXNFTLJBNVZBPY-IYBDPMFKSA-N |