2-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y508-8586 |
| Compound Name: | 2-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C20 H19 Cl F N3 O2 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])F)n1)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8234 |
| logD: | 2.8234 |
| logSw: | -3.4047 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.752 |
| InChI Key: | NZCJMZNBLGLGAI-UHFFFAOYSA-N |