N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
N-(3,4-dimethoxyphenyl)-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: | C301-8741 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccccc2NC(Nc2ccc(c(c2)OC)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4289 |
| logD: | 3.4289 |
| logSw: | -3.8392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.962 |
| InChI Key: | MSIOUOBGSCAXIG-UHFFFAOYSA-N |