methyl {2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}(phenyl)acetate
Chemical Structure Depiction of
methyl {2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}(phenyl)acetate
methyl {2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}(phenyl)acetate
Compound characteristics
| Compound ID: | 8016-1207 |
| Compound Name: | methyl {2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}(phenyl)acetate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | COC(C(c1ccccc1)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8818 |
| logD: | -1.6712 |
| logSw: | -2.4812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.436 |
| InChI Key: | KAORSIRPTDKTBL-LJQANCHMSA-N |