3-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0547 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C24 H22 Cl F N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)cc(c1OCc1ccc(cc1)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.13 |
| logD: | 4.22 |
| logSw: | -7.2 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.6 |
| InChI Key: | IZAXMZWYPWDRNQ-UHFFFAOYSA-N |