3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(4-methoxyphenyl)-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: | F722-0220 |
| Compound Name: | 3-(4-methoxyphenyl)-5-methyl-9-[(3-methylphenyl)methyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | Cc1cccc(CN2C3=C(N(C)C(NC3=O)=O)n3c(c4ccc(cc4)OC)nnc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.834 |
| logD: | 3.8323 |
| logSw: | -4.0785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.951 |
| InChI Key: | RDUVLTQDMLDYLB-UHFFFAOYSA-N |