N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

Formula:C22H17N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
MolecularFormula	C22H17N3O4S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cccs1
InChI	InChI=1S/C22H17N3O4S/c26-21(16-5-2-1-3-6-16)24-18(22(27)25-23-13-17-7-4-10-30-17)11-15-8-9-19-20(12-15)29-14-28-19/h1-13H,14H2,(H,24,26)(H,25,27)
InChIK	MWAHESJJPGDAMD-UHFFFAOYSA-N
TotalMolweight	419.46
Molweight	419.46
MonoisotopicMass	419.093977
CLogP	4.7963
CLogS	-6.187
H Acceptors	7
H Donors	2
TotalSurfaceArea	316.87
Relative PSA	0.31833
PolarSurfaceArea	117.26
Druglikeness	7.4876
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

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