5-methyl-9-[(4-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5-methyl-9-[(4-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-9-[(4-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0229 |
| Compound Name: | 5-methyl-9-[(4-methylphenyl)methyl]-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C28 H24 N6 O3 |
| Smiles: | Cc1ccc(CN2C3=C(N(C)C(NC3=O)=O)n3c(c4ccc(COc5ccccc5)cc4)nnc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0142 |
| logD: | 5.0125 |
| logSw: | -4.7246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.635 |
| InChI Key: | VJOABXKYRITUJT-UHFFFAOYSA-N |