4-(4-chlorophenyl)-2-{[(2-cyanophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[(2-cyanophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[(2-cyanophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0764 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[(2-cyanophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 378.84 |
| Molecular Formula: | C19 H11 Cl N4 O S |
| Smiles: | C(c1ccccc1C#N)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8246 |
| logD: | 0.495 |
| logSw: | -4.618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.495 |
| InChI Key: | UPGOGMBTEJSJAE-UHFFFAOYSA-N |