N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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: | D471-2767 |
| Compound Name: | N-(2,4-difluorophenyl)-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: | 484.53 |
| Molecular Formula: | C23 H22 F2 N6 O2 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(Nc3ccc(cc3F)F)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4548 |
| logD: | 3.4512 |
| logSw: | -3.8812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.425 |
| InChI Key: | LVUGXBRYRXSZTE-UHFFFAOYSA-N |