2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D490-0945 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9334 |
| logD: | 0.3804 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.192 |
| InChI Key: | QDKCQRNLGUSMQT-UHFFFAOYSA-N |