N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0092 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C25 H25 F N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCc2ccc(cc2)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.53 |
| logD: | 3.6 |
| logSw: | -6.2 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.33 |
| InChI Key: | QBDFLPLGBUFXTN-UHFFFAOYSA-N |