methyl 4-{5-[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]-1,2,4-oxadiazol-3-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]-1,2,4-oxadiazol-3-yl}benzoate
methyl 4-{5-[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]-1,2,4-oxadiazol-3-yl}benzoate
Compound characteristics
| Compound ID: | P680-0212 |
| Compound Name: | methyl 4-{5-[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]-1,2,4-oxadiazol-3-yl}benzoate |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | [H]c1ccc2c(c1)C(=C(C(N2CC=C)=O)c1nc(c2ccc(cc2)C(=O)OC)no1)O |
| Stereo: | ACHIRAL |
| logP: | 3.5353 |
| logD: | 0.1105 |
| logSw: | -3.5226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.242 |
| InChI Key: | OBESPFXPOIHITM-UHFFFAOYSA-N |