butyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
butyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
butyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | D285-0191 |
| Compound Name: | butyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CCCCOC(C(C)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6676 |
| logD: | 0.5615 |
| logSw: | -3.7563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.758 |
| InChI Key: | IXYRMKKRSKTSKQ-LBPRGKRZSA-N |