(E)-N-benzyl-3-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enamide

Formula:C28H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-3-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-3-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enamide
MolecularFormula	C28H22N4O2
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1cccc(/C=C(/C(NCc2ccccc2)=O)\C#N)c1
InChI	InChI=1S/C28H22N4O2/c29-17-25(27(33)31-19-21-8-3-1-4-9-21)15-23-12-7-13-24(14-23)16-26(18-30)28(34)32-20-22-10-5-2-6-11-22/h1-16H,19-20H2,(H,31,33)(H,32,34)
InChIK	FKCKSOYGXXNTQA-UHFFFAOYSA-N
TotalMolweight	446.509
Molweight	446.509
MonoisotopicMass	446.174276
CLogP	3.7358
CLogS	-5.556
H Acceptors	6
H Donors	2
TotalSurfaceArea	371.56
Relative PSA	0.20487
PolarSurfaceArea	105.78
Druglikeness	-1.3109
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	18
Amides	2
StereoCon

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1 - (E)-N-benzyl-3-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enamide | 2 - (E)-N-benzyl-3-[3-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enamide

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