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

Formula:C24H19N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
MolecularFormula	C24H19N2O4Br
Smiles	O=C(/C(/NC(c(cccc1)c1Br)=O)=C\c(cc1)cc2c1OCO2)NCc1ccccc1
InChI	InChI=1S/C24H19BrN2O4/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	JIGVDRKLTQTTPZ-UHFFFAOYSA-N
TotalMolweight	479.329
Molweight	479.329
MonoisotopicMass	478.052819
CLogP	4.9698
CLogS	-6.234
H Acceptors	6
H Donors	2
TotalSurfaceArea	328.56
Relative PSA	0.21001
PolarSurfaceArea	76.66
Druglikeness	1.5469
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-bromobenzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide

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