2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
Chemical Structure Depiction of
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide
Compound characteristics
| Compound ID: | D285-0147 |
| Compound Name: | 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-ethylphenyl)propanamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CCc1ccc(cc1)NC(C(C)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2042 |
| logD: | 1.0982 |
| logSw: | -4.0167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.801 |
| InChI Key: | YTBCJBKZMQAGIF-AWEZNQCLSA-N |