pentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
pentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D285-0176 |
| Compound Name: | pentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CCCCCOC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3536 |
| logD: | -0.1994 |
| logSw: | -3.4938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.163 |
| InChI Key: | KRGPMNIJPKZKEZ-UHFFFAOYSA-N |