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N-[2-[(2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

Formula:C21H25N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is a drug-like molecule.
MolNameN-[2-[(2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
MolecularFormulaC21H25N3O6
SmilesCCOc(ccc(/C=N\NC(CNC(c(cc1)cc(OC)c1OC)=O)=O)c1)c1OC
InChIInChI=1S/C21H25N3O6/c1-5-30-17-8-6-14(10-18(17)28-3)12-23-24-20(25)13-22-21(26)15-7-9-16(27-2)19(11-15)29-4/h6-12H,5,13H2,1-4H3,(H,22,26)(H,24,25)
InChIKVAPGHJZTNWQSJE-UHFFFAOYSA-N
TotalMolweight415.445
Molweight415.445
MonoisotopicMass415.174337
CLogP2.4116
CLogS-3.86
H Acceptors9
H Donors2
TotalSurfaceArea332.76
Relative PSA0.30205
PolarSurfaceArea107.48
Druglikeness3.8317
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Amides1
StereoCon

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