2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0300 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3nnc(N4CCCC4)s3)=O)cc2OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 5.21 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.46 |
| InChI Key: | CHSNXRDXLUTJLU-UHFFFAOYSA-N |