3-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0898 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 545.43 |
| Molecular Formula: | C24 H22 Br F N4 O3 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCc2ccc(cc2)F)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.18 |
| logD: | 4.25 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.34 |
| InChI Key: | MFEBNMROVRNCON-UHFFFAOYSA-N |