rel-(3aR,7aS)-2-{1-[(2-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(2-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(2-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8684 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(2-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 357.84 |
| Molecular Formula: | C19 H20 Cl N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1cc(C)n(Cc2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0658 |
| logD: | 3.0658 |
| logSw: | -3.3227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.464 |
| InChI Key: | BVHJDKUWDFBNFZ-GASCZTMLSA-N |