propan-2-yl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoate
Chemical Structure Depiction of
propan-2-yl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoate
propan-2-yl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | D285-0195 |
| Compound Name: | propan-2-yl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CCC(C(=O)OC(C)C)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5273 |
| logD: | 0.4212 |
| logSw: | -3.7465 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.143 |
| InChI Key: | NUJFKNRIQOCSNU-AWEZNQCLSA-N |