N-[2-[(2Z)-2-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Formula:C25H19N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[2-[(2Z)-2-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C25H19N4O5Cl
Smiles	N#Cc1ccc(COc(cc2)c(/C=N\NC(CNC(c(cc3)cc4c3OCO4)=O)=O)cc2Cl)cc1
InChI	InChI=1S/C25H19ClN4O5/c26-20-6-8-21(33-14-17-3-1-16(11-27)2-4-17)19(9-20)12-29-30-24(31)13-28-25(32)18-5-7-22-23(10-18)35-15-34-22/h1-10,12H,13-15H2,(H,28,32)(H,30,31)
InChIK	HLYHSLJVUKQFCL-UHFFFAOYSA-N
TotalMolweight	490.902
Molweight	490.902
MonoisotopicMass	490.104398
CLogP	4.1864
CLogS	-7.049
H Acceptors	9
H Donors	2
TotalSurfaceArea	370.87
Relative PSA	0.28061
PolarSurfaceArea	122.04
Druglikeness	0.74667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[2-[(2Z)-2-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

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