3-(2-chloro-6-fluorophenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(2-chloro-6-fluorophenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(2-chloro-6-fluorophenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0224 |
| Compound Name: | 3-(2-chloro-6-fluorophenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 438.85 |
| Molecular Formula: | C21 H16 Cl F N6 O2 |
| Smiles: | Cc1cccc(CN2C3=C(N(C)C(NC3=O)=O)n3c(c4c(cccc4[Cl])F)nnc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0339 |
| logD: | 4.0321 |
| logSw: | -4.6219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.408 |
| InChI Key: | TZXMVVZKNPSUHG-UHFFFAOYSA-N |