2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-0107 |
| Compound Name: | 2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cccc(c2)OCc2ccc(cc2)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 3.27 |
| logSw: | -6.06 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.17 |
| InChI Key: | YNNNKKQPLWGCKX-UHFFFAOYSA-N |