rel-(3aR,7aS)-2-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8180 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 371.87 |
| Molecular Formula: | C20 H22 Cl N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1c(C)nn(Cc2ccc(cc2)[Cl])c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6803 |
| logD: | 2.6803 |
| logSw: | -3.401 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.752 |
| InChI Key: | BPPXUFHOGCYPRN-CALCHBBNSA-N |