3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0398 |
| Compound Name: | 3-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 537.38 |
| Molecular Formula: | C20 H14 Br F N4 O4 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Br])OCc2ccc(cc2)F)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.92 |
| logD: | 1.57 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.61 |
| InChI Key: | ASZBMIBXMIAKHJ-UHFFFAOYSA-N |