N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide

Formula:C32H30N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide
MolecularFormulaC32H30N4O4
SmilesO=C(CCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)N/N=C\c(cc1)ccc1OCc1ccccc1
InChIInChI=1S/C32H30N4O4/c37-31(35-33-21-25-11-15-29(16-12-25)39-23-27-7-3-1-4-8-27)19-20-32(38)36-34-22-26-13-17-30(18-14-26)40-24-28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2,(H,35,37)(H,36,38)
InChIKDCQCVVWVDUKNGO-UHFFFAOYSA-N
TotalMolweight534.614
Molweight534.614
MonoisotopicMass534.226706
CLogP6.1434
CLogS-7.34
H Acceptors8
H Donors2
TotalSurfaceArea435.52
Relative PSA0.21129
PolarSurfaceArea101.38
Druglikeness2.7177
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.75
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond13
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms24
StereoCon

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