2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)propanamide
Chemical Structure Depiction of
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)propanamide
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)propanamide
Compound characteristics
| Compound ID: | 8018-0130 |
| Compound Name: | 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)propanamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CC(C(Nc1ccccc1C#N)=O)SC1=NC(C=C(N)N1CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7802 |
| logD: | 2.7792 |
| logSw: | -3.7272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.513 |
| InChI Key: | SMWOXSGVBOLIOP-HNNXBMFYSA-N |