2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0002 |
| Compound Name: | 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)ccc1OCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 4.47 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 174.18 |
| InChI Key: | GYCOLJDCLQANMZ-UHFFFAOYSA-N |