[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

Formula:C29H21N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C29H21N3O6S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1cccc(OC(c2cccs2)=O)c1
InChI	InChI=1S/C29H21N3O6S/c33-27(21-7-2-1-3-8-21)31-23(15-19-11-12-24-25(16-19)37-18-36-24)28(34)32-30-17-20-6-4-9-22(14-20)38-29(35)26-10-5-13-39-26/h1-17H,18H2,(H,31,33)(H,32,34)
InChIK	WIDBRQCTRZGPDG-UHFFFAOYSA-N
TotalMolweight	539.567
Molweight	539.567
MonoisotopicMass	539.115107
CLogP	6.2268
CLogS	-7.657
H Acceptors	9
H Donors	2
TotalSurfaceArea	404.38
Relative PSA	0.30642
PolarSurfaceArea	143.56
Druglikeness	7.4841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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1 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [3-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

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