2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D490-0881 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 320.75 |
| Molecular Formula: | C13 H9 Cl N4 O2 S |
| Smiles: | C(C(N)=O)SC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.259 |
| logD: | -2.294 |
| logSw: | -2.7993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.098 |
| InChI Key: | MFZMJLITGMCMSX-UHFFFAOYSA-N |