1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,9-dimethyl-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)-7,9-dimethyl-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)-7,9-dimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8018-2808 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,9-dimethyl-3-(4-methylphenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C20 H22 N6 O4 S |
| Smiles: | Cc1ccc(cc1)C1Cn2c3C(N(C)C(N(C)c3nc2N(C2CCS(C2)(=O)=O)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1953 |
| logD: | 2.1953 |
| logSw: | -2.611 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.463 |
| InChI Key: | WULYNNNIZKNIFQ-CQSZACIVSA-N |