ethyl 5-[5-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[5-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
ethyl 5-[5-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
Compound characteristics
Compound ID: | G310-0125 |
Compound Name: | ethyl 5-[5-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate |
Molecular Weight: | 444.53 |
Molecular Formula: | C21 H20 N2 O5 S2 |
Smiles: | CCOC(c1cc(c2ccc(s2)S(N2CCC(=CC2)c2ccccc2)(=O)=O)on1)=O |
Stereo: | ACHIRAL |
logP: | 4.7113 |
logD: | 4.7113 |
logSw: | -4.3421 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 74.985 |
InChI Key: | JRKNIFDYZLJGSO-UHFFFAOYSA-N |