9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-5618 |
| Compound Name: | 9-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C20 H17 F N8 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(Cc1ccccc1F)c(n2)SCC1=CC(n2c(N1)ncn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4145 |
| logD: | 1.1977 |
| logSw: | -2.8539 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.273 |
| InChI Key: | WZBITAVMKAPHHK-UHFFFAOYSA-N |