N-(2-chloro-4-methylphenyl)-N'-[2-({[1-(2-methylpropyl)-7-oxo-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-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
N-(2-chloro-4-methylphenyl)-N'-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | D471-2742 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-N'-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea |
| Molecular Weight: | 497.02 |
| Molecular Formula: | C24 H25 Cl N6 O2 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(Nc3ccc(C)cc3[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2628 |
| logD: | 4.2594 |
| logSw: | -4.3883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.425 |
| InChI Key: | VLZJBSDEOOCZDE-UHFFFAOYSA-N |