4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(prop-2-en-1-yl)quinolin-2(1H)-one
Chemical Structure Depiction of
4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(prop-2-en-1-yl)quinolin-2(1H)-one
4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(prop-2-en-1-yl)quinolin-2(1H)-one
Compound characteristics
| Compound ID: | P680-0210 |
| Compound Name: | 4-hydroxy-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(prop-2-en-1-yl)quinolin-2(1H)-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | [H]c1ccc2c(c1)C(=C(C(N2CC=C)=O)c1nc(c2ccc(cc2)SC)no1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1639 |
| logD: | 0.7391 |
| logSw: | -4.2041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.068 |
| InChI Key: | VLGIESPEXJOJBJ-UHFFFAOYSA-N |