(E)-N,N'-bis[3-(dibenzylamino)phenyl]but-2-enediamide

Formula:C44H40N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N,N'-bis[3-(dibenzylamino)phenyl]but-2-enediamide is not a drug-like molecule.

MolName	(E)-N,N'-bis[3-(dibenzylamino)phenyl]but-2-enediamide
MolecularFormula	C44H40N4O2
Smiles	O=C(/C=C/C(Nc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1)=O)Nc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1
InChI	InChI=1S/C44H40N4O2/c49-43(45-39-23-13-25-41(29-39)47(31-35-15-5-1-6-16-35)32-36-17-7-2-8-18-36)27-28-44(50)46-40-24-14-26-42(30-40)48(33-37-19-9-3-10-20-37)34-38-21-11-4-12-22-38/h1-30H,31-34H2,(H,45,49)(H,46,50)
InChIK	BHNNTPWPZDOHPK-UHFFFAOYSA-N
TotalMolweight	656.828
Molweight	656.828
MonoisotopicMass	656.315126
CLogP	7.8712
CLogS	-8.608
H Acceptors	6
H Donors	2
TotalSurfaceArea	532.62
Relative PSA	0.10533
PolarSurfaceArea	64.68
Druglikeness	1.859
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	50
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	14
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	4
Symmetricatoms	34
Amides	2
Amines	2
Aromatic Amines	2
StereoCon

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