9-[(4-chlorophenyl)methyl]-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(4-chlorophenyl)methyl]-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(4-chlorophenyl)methyl]-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0324 |
| Compound Name: | 9-[(4-chlorophenyl)methyl]-5-methyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 420.86 |
| Molecular Formula: | C21 H17 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1)c1nnc2N(Cc3ccc(cc3)[Cl])C3=C(N(C)C(NC3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.2231 |
| logD: | 4.2214 |
| logSw: | -4.5614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.408 |
| InChI Key: | ZSVRZALYGDZBKM-UHFFFAOYSA-N |