2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0144 |
| Compound Name: | 2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1ccccc1c1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.48 |
| logD: | 6.46 |
| logSw: | -7.25 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.57 |
| InChI Key: | LBKQEVYHKUBEFQ-UHFFFAOYSA-N |