2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C726-2579 |
Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 413.5 |
Molecular Formula: | C20 H23 N5 O3 S |
Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.76 |
logD: | 3.6 |
logSw: | -4.81 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 168.25 |
InChI Key: | OOUKZUZZWJFBAV-UHFFFAOYSA-N |