2-methylpropyl {[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-methylpropyl {[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
2-methylpropyl {[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D490-0986 |
| Compound Name: | 2-methylpropyl {[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | CC(C)COC(CSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5481 |
| logD: | -0.0049 |
| logSw: | -4.188 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.244 |
| InChI Key: | NVANGCTVTHYRHS-UHFFFAOYSA-N |