2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C726-3184 |
Compound Name: | 2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 492.6 |
Molecular Formula: | C25 H28 N6 O3 S |
Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cccn2CCOc2cccc(c2)OC)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.13 |
logD: | 5.09 |
logSw: | -6.29 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 163.42 |
InChI Key: | YSZUMVCARUJUDG-UHFFFAOYSA-N |