4-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}phenyl thiocyanate
Chemical Structure Depiction of
4-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}phenyl thiocyanate
4-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}phenyl thiocyanate
Compound characteristics
Compound ID: | 8013-4552 |
Compound Name: | 4-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}phenyl thiocyanate |
Molecular Weight: | 405.86 |
Molecular Formula: | C21 H12 Cl N3 O2 S |
Smiles: | C(=C(/C#N)C(Nc1ccc(cc1)SC#N)=O)/c1ccc(c2ccc(cc2)[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 5.5603 |
logD: | 5.5512 |
logSw: | -6.1461 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.752 |
InChI Key: | LOJIUQFCTSDZAR-UHFFFAOYSA-N |