2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 3773-2765 |
Compound Name: | 2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 422.48 |
Molecular Formula: | C22 H19 F N4 O2 S |
Smiles: | CC(C)c1nnc(NC(C(=C/c2cccc(c2)OCc2ccc(cc2)F)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.04 |
logD: | 3.13 |
logSw: | -5.97 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 146.27 |
InChI Key: | FJTHNLARXLGNOG-UHFFFAOYSA-N |