3-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0395 |
| Compound Name: | 3-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 537.38 |
| Molecular Formula: | C20 H14 Br F N4 O4 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Br])OCc2ccccc2F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.84 |
| logD: | 1.49 |
| logSw: | -4.66 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.33 |
| InChI Key: | AAIOTVDGDCDFKA-UHFFFAOYSA-N |