1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4,7,9-trimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4,7,9-trimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4,7,9-trimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8017-9072 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4,7,9-trimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C21 H24 N6 O4 S |
| Smiles: | CC1C(c2ccc(C)cc2)=NN(C2CCS(C2)(=O)=O)c2nc3c(C(N(C)C(N3C)=O)=O)n12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.596 |
| logD: | 2.5959 |
| logSw: | -2.9067 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.141 |
| InChI Key: | DJANWOMSPOFJHK-UHFFFAOYSA-N |