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(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine

Formula:C29H27N3O2F2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine is not a drug-like molecule.
MolName(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine
MolecularFormulaC29H27N3O2F2S
SmilesFC(F)Sc(cc1)ccc1-c1ccc(/C=N\N=C/C(CC/C2=C/c3ccccc3)=C2N2CCOCC2)o1
InChIInChI=1S/C29H27F2N3O2S/c30-29(31)37-26-11-8-22(9-12-26)27-13-10-25(36-27)20-33-32-19-24-7-6-23(18-21-4-2-1-3-5-21)28(24)34-14-16-35-17-15-34/h1-5,8-13,18-20,29H,6-7,14-17H2
InChIKFTVQKKYDZUUWKK-UHFFFAOYSA-N
TotalMolweight519.614
Molweight519.614
MonoisotopicMass519.179203
CLogP8.1989
CLogS-7.627
H Acceptors5
TotalSurfaceArea398.17
Relative PSA0.17121
PolarSurfaceArea75.63
Druglikeness1.6114
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Nasty Functionsdimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.59459
Fragments1
Non HAtoms37
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms7
StereoCon

Request More Details | (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine


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