N-(3-chlorophenyl)-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-(3-chlorophenyl)-N'-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea
N-(3-chlorophenyl)-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: | C301-9156 |
| Compound Name: | N-(3-chlorophenyl)-N'-{4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 470.94 |
| Molecular Formula: | C21 H19 Cl N6 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ccc(cc2)NC(Nc2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8732 |
| logD: | 4.8731 |
| logSw: | -4.8483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.399 |
| InChI Key: | HJGPXLZHEJXCSQ-UHFFFAOYSA-N |