3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | C726-1190 |
Compound Name: | 3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 484.37 |
Molecular Formula: | C21 H18 Br N5 O2 S |
Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[Br])o2)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.85 |
logD: | 5.69 |
logSw: | -6.41 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 146.82 |
InChI Key: | HKQCETUTZYJKRY-UHFFFAOYSA-N |