2-phenylethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-phenylethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
2-phenylethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D285-0173 |
| Compound Name: | 2-phenylethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | C(COC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3263 |
| logD: | -0.2267 |
| logSw: | -3.5842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.891 |
| InChI Key: | WEIJBKXWNQLTDU-UHFFFAOYSA-N |