1,4-diethyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
1,4-diethyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1,4-diethyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8013-2398 |
| Compound Name: | 1,4-diethyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C19 H22 N6 O2 |
| Smiles: | CCC1C(c2ccccc2)=NN(CC)c2nc3c(C(N(C)C(N3C)=O)=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7333 |
| logD: | 3.7332 |
| logSw: | -3.9572 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.647 |
| InChI Key: | DAFARFASMXFSNA-ZDUSSCGKSA-N |