propan-2-yl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
propan-2-yl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
propan-2-yl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D285-0181 |
| Compound Name: | propan-2-yl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | CC(C)OC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2092 |
| logD: | -1.3438 |
| logSw: | -2.7255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.548 |
| InChI Key: | YSLUPZCSQIBCPH-UHFFFAOYSA-N |