2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
Compound characteristics
| Compound ID: | L688-0008 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-7-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione |
| Molecular Weight: | 438.85 |
| Molecular Formula: | C21 H16 Cl F N6 O2 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C3=NN(Cc4ccc(cc4)[Cl])C(N23)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0336 |
| logD: | 3.0336 |
| logSw: | -3.3634 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.382 |
| InChI Key: | GWVGSPZQQFSUIG-UHFFFAOYSA-N |