1-[3-({[5-(pyridin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({[5-(pyridin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)phenyl]ethan-1-one
1-[3-({[5-(pyridin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | 8016-2278 |
| Compound Name: | 1-[3-({[5-(pyridin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)phenyl]ethan-1-one |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | CC(c1cccc(c1)NCN1C(OC(c2ccncc2)=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1361 |
| logD: | 2.1352 |
| logSw: | -2.5081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.604 |
| InChI Key: | AVPRCFXXVAEOJX-UHFFFAOYSA-N |