3-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
Chemical Structure Depiction of
3-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
3-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide
Compound characteristics
| Compound ID: | D490-0763 |
| Compound Name: | 3-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-phenylpropanamide |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C20 H15 Cl N4 O2 S |
| Smiles: | C(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5499 |
| logD: | -0.1114 |
| logSw: | -4.247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | MIUSIAPXGFWVDB-UHFFFAOYSA-N |