2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0294 |
| Compound Name: | 2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C24 H23 N5 O2 S |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(N4CCCC4)s3)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.64 |
| logD: | 5.48 |
| logSw: | -6.37 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.26 |
| InChI Key: | OYWZMAHVMXAROY-UHFFFAOYSA-N |