Menu

(Z)-3-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine

Formula:C32H26N5O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is not a drug-like molecule.
MolName(Z)-3-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
MolecularFormulaC32H26N5O2FS
SmilesFc(cc1)ccc1C(N1/N=C\c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)=CS/C1=N/C[C@H]1OCCC1
InChIInChI=1S/C32H26FN5O2S/c33-25-14-12-22(13-15-25)28-21-41-32(34-19-27-10-6-16-39-27)38(28)35-18-24-20-37(26-8-2-1-3-9-26)36-31(24)30-17-23-7-4-5-11-29(23)40-30/h1-5,7-9,11-15,17-18,20-21,27H,6,10,16,19H2/t27-/m0/s1
InChIKWIXUKUAHAKMCMC-MHZLTWQESA-N
TotalMolweight563.655
Molweight563.655
MonoisotopicMass563.179123
CLogP5.9122
CLogS-7.835
H Acceptors7
TotalSurfaceArea421.91
Relative PSA0.20386
PolarSurfaceArea93.45
Druglikeness1.945
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.39024
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond7
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms7
Symmetricatoms4
Aromatic Nitrogens2
BasicNitrogens1
StereoConthis enantiomer

Request More Details | (Z)-3-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments