ethyl 5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2268 |
| Compound Name: | ethyl 5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(3-methylthiophen-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C23 H22 N2 O4 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(=O)OC)c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4842 |
| logD: | -0.1748 |
| logSw: | -4.1627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.683 |
| InChI Key: | QZMSNQDHAZXJDK-GOSISDBHSA-N |