5,7-dimethyl-3-(4-methylphenyl)-9-[(4-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5,7-dimethyl-3-(4-methylphenyl)-9-[(4-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5,7-dimethyl-3-(4-methylphenyl)-9-[(4-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0708 |
| Compound Name: | 5,7-dimethyl-3-(4-methylphenyl)-9-[(4-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 414.47 |
| Molecular Formula: | C23 H22 N6 O2 |
| Smiles: | Cc1ccc(CN2C3=C(N(C)C(N(C)C3=O)=O)n3c(c4ccc(C)cc4)nnc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3877 |
| logD: | 4.3877 |
| logSw: | -4.2909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.494 |
| InChI Key: | GKUWNIHYIIHGTL-UHFFFAOYSA-N |