ethyl 4-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7107 |
| Compound Name: | ethyl 4-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)ccc(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4026 |
| logD: | 3.4025 |
| logSw: | -3.6502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.684 |
| InChI Key: | PSRXLGGVLAVANJ-UHFFFAOYSA-N |