rel-(3aR,7aS)-2-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8670 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 406.31 |
| Molecular Formula: | C20 H21 Cl2 N3 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1c(C)nn(Cc2c(cccc2[Cl])[Cl])c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3148 |
| logD: | 3.3148 |
| logSw: | -3.5128 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.752 |
| InChI Key: | XQDLIZUHBWFDEL-OKILXGFUSA-N |