C26H24N3O4Cl | Cheminformatics

N-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H24N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolNameN-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC26H24N3O4Cl
SmilesC/C(/c(cc1)ccc1Cl)=N/NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc(OC)c1OC)=O
InChIInChI=1S/C26H24ClN3O4/c1-17(19-10-12-21(27)13-11-19)29-30-26(32)22(28-25(31)20-7-5-4-6-8-20)15-18-9-14-23(33-2)24(16-18)34-3/h4-16H,1-3H3,(H,28,31)(H,30,32)
InChIKRDLSJOTYYFCPCA-UHFFFAOYSA-N
TotalMolweight477.947
Molweight477.947
MonoisotopicMass477.145534
CLogP5.2222
CLogS-6.598
H Acceptors7
H Donors2
TotalSurfaceArea371.08
Relative PSA0.21696
PolarSurfaceArea89.02
Druglikeness5.5198
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms4
Amides1
StereoCon

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