3-(3-methoxyphenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
3-(3-methoxyphenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(3-methoxyphenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8011-8084 |
| Compound Name: | 3-(3-methoxyphenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C17 H18 N6 O3 |
| Smiles: | CN1C(c2c(nc3N(C)N=C(Cn23)c2cccc(c2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4443 |
| logD: | 2.4441 |
| logSw: | -2.6328 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.106 |
| InChI Key: | ZIJOPJUTSTVEAH-UHFFFAOYSA-N |