(E)-N-benzyl-3-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enamide

Formula:C25H21N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-3-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-3-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enamide
MolecularFormula	C25H21N2O3Br
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1)ccc1OCCOc(cc1)ccc1Br
InChI	InChI=1S/C25H21BrN2O3/c26-22-8-12-24(13-9-22)31-15-14-30-23-10-6-19(7-11-23)16-21(17-27)25(29)28-18-20-4-2-1-3-5-20/h1-13,16H,14-15,18H2,(H,28,29)
InChIK	JRIDHCHDNXYWOF-UHFFFAOYSA-N
TotalMolweight	477.357
Molweight	477.357
MonoisotopicMass	476.073554
CLogP	4.7779
CLogS	-5.688
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.32
Relative PSA	0.16669
PolarSurfaceArea	71.35
Druglikeness	-10.186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	1
StereoCon

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1 - (E)-N-benzyl-3-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enamide | 2 - (E)-N-benzyl-3-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-2-cyanoprop-2-enamide

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