2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | D490-0635 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 301.32 |
| Molecular Formula: | C14 H11 N3 O3 S |
| Smiles: | CC(C(O)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4083 |
| logD: | -1.6978 |
| logSw: | -2.1685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.118 |
| InChI Key: | AUJYBYKYNPGFMV-QMMMGPOBSA-N |