2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | D518-0088 |
| Compound Name: | 2-{[5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide |
| Molecular Weight: | 421.26 |
| Molecular Formula: | C17 H10 Cl2 N4 O3 S |
| Smiles: | C(C(Nc1cc(cc(c1)[Cl])[Cl])=O)SC1NC(C(C#N)=C(c2ccco2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.455 |
| logD: | 0.2978 |
| logSw: | -3.9449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.166 |
| InChI Key: | HXFHCZHXEGZNTD-UHFFFAOYSA-N |