ethyl 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
ethyl 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | D285-0287 |
| Compound Name: | ethyl 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CCOC(C(C)SC1NC(C(C#N)=C(c2ccc(C)cc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.146 |
| logD: | 0.04 |
| logSw: | -3.2838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.464 |
| InChI Key: | DUVDSOJPYDKTSD-NSHDSACASA-N |