9-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0251 |
| Compound Name: | 9-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | Cc1ccc(C)c(CN2C3=C(N(C)C(NC3=O)=O)n3c(c4ccc(cc4)OC)nnc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2334 |
| logD: | 4.2317 |
| logSw: | -4.2833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.951 |
| InChI Key: | CGGVQSJCDNAFJR-UHFFFAOYSA-N |