3-[4-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
Chemical Structure Depiction of
3-[4-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
3-[4-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile
Compound characteristics
Compound ID: | Y070-1574 |
Compound Name: | 3-[4-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propanenitrile |
Molecular Weight: | 410.47 |
Molecular Formula: | C21 H19 F N4 O2 S |
Smiles: | C(CN1CCN(CC1)C1=NC(/C(=C\c2ccc(c3ccc(cc3)F)o2)S1)=O)C#N |
Stereo: | ACHIRAL |
logP: | 3.0148 |
logD: | 3.0111 |
logSw: | -3.3206 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.447 |
InChI Key: | SYBKSMSMQLCVAZ-UHFFFAOYSA-N |