4-[(4-chlorophenyl)methyl]-7-methyl-2-{[3-(trifluoromethyl)phenyl]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
4-[(4-chlorophenyl)methyl]-7-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
4-[(4-chlorophenyl)methyl]-7-methyl-2-{[3-(trifluoromethyl)phenyl]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: | L688-0137 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-7-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione |
| Molecular Weight: | 488.86 |
| Molecular Formula: | C22 H16 Cl F3 N6 O2 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)[Cl])C3=NN(Cc4cccc(c4)C(F)(F)F)C(N23)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7614 |
| logD: | 3.7614 |
| logSw: | -4.2777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.382 |
| InChI Key: | MEZSTLDHXWKONJ-UHFFFAOYSA-N |