1-benzyl-3-(4-methoxyphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
1-benzyl-3-(4-methoxyphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-benzyl-3-(4-methoxyphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8012-3559 |
| Compound Name: | 1-benzyl-3-(4-methoxyphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | CN1C(c2c(nc3N(Cc4ccccc4)N=C(Cn23)c2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9553 |
| logD: | 3.9552 |
| logSw: | -4.1798 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.156 |
| InChI Key: | ABNDEKDPFRVUQZ-UHFFFAOYSA-N |