1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-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-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,9-dimethyl-3-phenyl-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-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8017-8641 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C19 H20 N6 O4 S |
| Smiles: | CN1C(c2c(nc3N(C4CCS(C4)(=O)=O)N=C(Cn23)c2ccccc2)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6668 |
| logD: | 1.6668 |
| logSw: | -2.2981 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.463 |
| InChI Key: | XIXWUHQJAKQVRE-CYBMUJFWSA-N |