2-cyano-3-{4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0170 |
| Compound Name: | 2-cyano-3-{4-[(2-fluorobenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C23 H20 F N5 O2 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 4.86 |
| logSw: | -6.12 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.94 |
| InChI Key: | PAXVQMMFJIXIEM-UHFFFAOYSA-N |