N-(3-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-(3-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-(3-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: | D471-2755 |
| Compound Name: | N-(3-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: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(Nc3cccc(C)c3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.8946 |
| logSw: | -3.9167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.123 |
| InChI Key: | HKBHCGPDZWANLA-UHFFFAOYSA-N |