3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C726-2820 |
Compound Name: | 3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 498.4 |
Molecular Formula: | C22 H20 Br N5 O2 S |
Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[Br])o2)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.18 |
logD: | 6.02 |
logSw: | -7.05 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 146.98 |
InChI Key: | BIMJLUFUVYSBDX-UHFFFAOYSA-N |