N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]-2-bromobenzamide

Formula:C26H20N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]-2-bromobenzamide is not a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]-2-bromobenzamide
MolecularFormula	C26H20N3O4Br
Smiles	O=C(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)cc2c1OCO2)N/N=C\C=C/c1ccccc1
InChI	InChI=1S/C26H20BrN3O4/c27-21-11-5-4-10-20(21)25(31)29-22(15-19-12-13-23-24(16-19)34-17-33-23)26(32)30-28-14-6-9-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,31)(H,30,32)
InChIK	NQDVBXYLUJQIFK-UHFFFAOYSA-N
TotalMolweight	518.366
Molweight	518.366
MonoisotopicMass	517.063718
CLogP	5.6732
CLogS	-7.303
H Acceptors	7
H Donors	2
TotalSurfaceArea	366.06
Relative PSA	0.21994
PolarSurfaceArea	89.02
Druglikeness	4.4886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]-2-bromobenzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]prop-1-en-2-yl]-2-bromobenzamide

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