2-cyano-3-{1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-{1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5234-1644 |
Compound Name: | 2-cyano-3-{1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 454.55 |
Molecular Formula: | C26 H22 N4 O2 S |
Smiles: | Cc1ccc(cc1)OCCn1cccc1/C=C(/C#N)C(Nc1nc(cs1)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 6.4 |
logD: | 6.4 |
logSw: | -6.95 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 101.15 |
InChI Key: | CIZXNZLAMVJFLS-UHFFFAOYSA-N |