2-cyano-3-{2-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{2-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{2-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-4384 |
| Compound Name: | 2-cyano-3-{2-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccccc2OCc2ccc(cc2)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 3.71 |
| logSw: | -6.36 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.87 |
| InChI Key: | SQKBOEZZKZRSFP-UHFFFAOYSA-N |