N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(3,4-dimethylphenyl)guanidine
Chemical Structure Depiction of
N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(3,4-dimethylphenyl)guanidine
N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(3,4-dimethylphenyl)guanidine
Compound characteristics
| Compound ID: | Y021-1778 |
| Compound Name: | N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N'-(3,4-dimethylphenyl)guanidine |
| Molecular Weight: | 413.93 |
| Molecular Formula: | C20 H20 Cl N5 O S |
| Smiles: | Cc1ccc(cc1C)NC(=N)NC1NC(C=C(CSc2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0949 |
| logD: | 4.7223 |
| logSw: | -5.3249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 72.386 |
| InChI Key: | ZQNREZVADFWYSW-UHFFFAOYSA-N |