N-(4-fluorophenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(4-fluorophenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
N-(4-fluorophenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | C301-8764 |
| Compound Name: | N-(4-fluorophenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C21 H19 F N6 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccccc2NC(Nc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9231 |
| logD: | 3.9231 |
| logSw: | -3.9979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.701 |
| InChI Key: | NDSBDXUIUACFSE-UHFFFAOYSA-N |