4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)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
4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methyl]-7-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]-2-[(2,5-dimethylphenyl)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: | L688-0133 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)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: | 448.91 |
| Molecular Formula: | C23 H21 Cl N6 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3C(=N2)N(Cc2ccc(cc2)[Cl])C(c2c3cn(C)n2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1793 |
| logD: | 4.1793 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.382 |
| InChI Key: | OUJVYVVXAHLXQB-UHFFFAOYSA-N |