2-phenoxyethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-phenoxyethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
2-phenoxyethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D285-0186 |
| Compound Name: | 2-phenoxyethyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | C(COc1ccccc1)OC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8076 |
| logD: | -0.7454 |
| logSw: | -3.3632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.309 |
| InChI Key: | BQLSBROKRPSDSM-UHFFFAOYSA-N |