2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Compound characteristics
| Compound ID: | D623-0022 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5101 |
| logD: | -0.0429 |
| logSw: | -4.2457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.393 |
| InChI Key: | SKUICVWLBHAPJO-UHFFFAOYSA-N |