rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-8646 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C17 H16 Cl F N4 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C1=O)c1ncn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.853 |
| logD: | 2.853 |
| logSw: | -3.2977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.086 |
| InChI Key: | MRZBFVCOMASKKK-BETUJISGSA-N |