N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide

Formula:C25H28N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-[(E)-3-phenylprop-2-enylidene]amino]heptanediamide
MolecularFormulaC25H28N4O2
SmilesO=C(CCCCCC(N/N=C\C=C\c1ccccc1)=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C25H28N4O2/c30-24(28-26-20-10-16-22-12-4-1-5-13-22)18-8-3-9-19-25(31)29-27-21-11-17-23-14-6-2-7-15-23/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2,(H,28,30)(H,29,31)
InChIKYFDPZPXPTJZRCW-UHFFFAOYSA-N
TotalMolweight416.523
Molweight416.523
MonoisotopicMass416.221226
CLogP4.847
CLogS-6.052
H Acceptors6
H Donors2
TotalSurfaceArea362.76
Relative PSA0.19853
PolarSurfaceArea82.92
Druglikeness-4.0823
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.80645
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond12
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms17
StereoCon

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