4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoate

Formula:C24H20N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoate
MolecularFormulaC24H20N3O4
Smiles[O-]C(c1ccc(/C=N\NC(CNC(C(c2ccccc2)c2ccccc2)=O)=O)cc1)=O
InChIInChI=1S/C24H21N3O4/c28-21(27-26-15-17-11-13-20(14-12-17)24(30)31)16-25-23(29)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,22H,16H2,(H,25,29)(H,27,28)(H,30,31)/p-1
InChIKWSJGHNBDKOZPLO-UHFFFAOYSA-M
TotalMolweight414.44
Molweight414.44
MonoisotopicMass414.145382
CLogP1.2201
CLogS-4.615
H Acceptors7
H Donors2
TotalSurfaceArea327.5
Relative PSA0.26818
PolarSurfaceArea110.69
Druglikeness6.3424
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.58065
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms10
Amides1
AcidicOxygens1
StereoCon

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