ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y503-3677 |
| Compound Name: | ethyl 6-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | CCn1cc(cn1)C1C(=C(CSc2c(C#N)c(C)cc(C)n2)NC(N1)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0041 |
| logD: | 1.8057 |
| logSw: | -2.6415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.892 |
| InChI Key: | HZEDLQJJSCMKHC-GOSISDBHSA-N |