ethyl 4-(2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D285-0232 |
| Compound Name: | ethyl 4-(2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(C(C#N)=C(c2ccc(C)cc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8502 |
| logD: | 0.2972 |
| logSw: | -3.876 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.341 |
| InChI Key: | KUBJVMDWPVGRDA-UHFFFAOYSA-N |