N-(4-methylphenyl)-N'-{4-[(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-methylphenyl)-N'-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
N-(4-methylphenyl)-N'-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | C301-9206 |
| Compound Name: | N-(4-methylphenyl)-N'-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | Cc1ccc(cc1)NC(Nc1ccc(cc1)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.543 |
| logD: | 4.543 |
| logSw: | -4.2809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.399 |
| InChI Key: | CPCCGYZZTBYLSI-UHFFFAOYSA-N |