methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate
Chemical Structure Depiction of
methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate
methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate
Compound characteristics
| Compound ID: | 4499-0011 |
| Compound Name: | methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CC(C)CC(C(=O)OC)NC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0487 |
| logD: | -1.5043 |
| logSw: | -2.6152 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.986 |
| InChI Key: | AKPKVAZBSUXKSJ-HNNXBMFYSA-N |