4-[(4-fluorophenyl)methyl]-7-methyl-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]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-fluorophenyl)methyl]-7-methyl-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione
4-[(4-fluorophenyl)methyl]-7-methyl-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]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: | C200-8237 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-7-methyl-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,4-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5(7H)-dione |
| Molecular Weight: | 499.5 |
| Molecular Formula: | C26 H22 F N7 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(CN2C(N3C(=N2)N(Cc2ccc(cc2)F)C(c2c3cn(C)n2)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3975 |
| logD: | 3.3975 |
| logSw: | -3.401 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.504 |
| InChI Key: | YTRMPHRGKJMGCG-UHFFFAOYSA-N |