2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0752 |
| Compound Name: | 2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 432.33 |
| Molecular Formula: | C20 H15 Cl2 N3 O2 S |
| Smiles: | C(COc1ccc(cc1)[Cl])CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2866 |
| logD: | 1.7181 |
| logSw: | -6.0494 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | ZPKMUURMLNCIAB-UHFFFAOYSA-N |