N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide

Formula:C22H20N4O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide
MolecularFormulaC22H20N4O2F6
SmilesO=C(CCCCC(N/N=C\c1ccc(C(F)(F)F)cc1)=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20F6N4O2/c23-21(24,25)17-9-5-15(6-10-17)13-29-31-19(33)3-1-2-4-20(34)32-30-14-16-7-11-18(12-8-16)22(26,27)28/h5-14H,1-4H2,(H,31,33)(H,32,34)
InChIKIZMVDFPWARFAQS-UHFFFAOYSA-N
TotalMolweight486.415
Molweight486.415
MonoisotopicMass486.149044
CLogP6.0526
CLogS-6.754
H Acceptors6
H Donors2
TotalSurfaceArea354.92
Relative PSA0.20292
PolarSurfaceArea82.92
Druglikeness-11.319
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.70588
Fragments1
Non HAtoms34
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond11
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms21
StereoCon

Request More Details | N,N'-bis[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]hexanediamide


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