2-cyano-3-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1227 |
| Compound Name: | 2-cyano-3-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C24 H23 F N4 O5 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2F)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 2.47 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.66 |
| InChI Key: | LBISFZBEBRXIJF-UHFFFAOYSA-N |