propyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
propyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
propyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | D285-0189 |
| Compound Name: | propyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CCCOC(C(C)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1946 |
| logD: | 0.0885 |
| logSw: | -3.3578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.758 |
| InChI Key: | HLKZIHNWEXWLOR-NSHDSACASA-N |