N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C24H19N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C24H19N2O4Cl
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c(cc1)cc2c1OCO2)NCc1ccccc1
InChI	InChI=1S/C24H19ClN2O4/c25-19-9-5-4-8-18(19)23(28)27-20(24(29)26-14-16-6-2-1-3-7-16)12-17-10-11-21-22(13-17)31-15-30-21/h1-13H,14-15H2,(H,26,29)(H,27,28)
InChIK	CVVPFXSKJGVYHE-UHFFFAOYSA-N
TotalMolweight	434.878
Molweight	434.878
MonoisotopicMass	434.103335
CLogP	4.8506
CLogS	-6.136
H Acceptors	6
H Donors	2
TotalSurfaceArea	325.35
Relative PSA	0.21208
PolarSurfaceArea	76.66
Druglikeness	3.3942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

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