3-(4-chlorophenyl)-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-(4-chlorophenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(4-chlorophenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8010-0814 |
| Compound Name: | 3-(4-chlorophenyl)-1,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C16 H15 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc3N(C)N=C(Cn23)c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0027 |
| logD: | 3.0026 |
| logSw: | -3.5651 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.563 |
| InChI Key: | WVHPOXZLRBJTJQ-UHFFFAOYSA-N |