3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0544 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C24 H22 Cl F N4 O3 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccccc2F)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.33 |
| logD: | 4.4 |
| logSw: | -7.28 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.71 |
| InChI Key: | ORIMYHDEFOCKQO-UHFFFAOYSA-N |