N-(2-chloro-4-methylphenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
N-(2-chloro-4-methylphenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | D471-2695 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(Nc3ccc(C)cc3[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8274 |
| logD: | 3.7873 |
| logSw: | -4.1565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.403 |
| InChI Key: | XTBIIMWHWBFMCV-UHFFFAOYSA-N |