N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-[2-(trifluoromethyl)phenyl]guanidine
Chemical Structure Depiction of
N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-[2-(trifluoromethyl)phenyl]guanidine
N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-[2-(trifluoromethyl)phenyl]guanidine
Compound characteristics
| Compound ID: | Y021-2055 |
| Compound Name: | N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-[2-(trifluoromethyl)phenyl]guanidine |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C19 H15 Cl F3 N5 O S |
| Smiles: | C(C1=CC(NC(NC(=N)Nc2ccccc2C(F)(F)F)=N1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6697 |
| logD: | 4.3112 |
| logSw: | -5.0509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.688 |
| InChI Key: | BPPLFBFIIOHUAO-UHFFFAOYSA-N |