ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | D285-0188 |
| Compound Name: | ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | CCOC(C(C)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6176 |
| logD: | -0.4885 |
| logSw: | -3.162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.464 |
| InChI Key: | CQUQFCOHPUZKRP-JTQLQIEISA-N |