6-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

Formula:C24H20N7O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	6-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C24H20N7O2Br
Smiles	Brc1c(/C=N\Nc2nc(Nc3ccccc3)nc(NCc3ccccc3)n2)cc2OCOc2c1
InChI	InChI=1S/C24H20BrN7O2/c25-19-12-21-20(33-15-34-21)11-17(19)14-27-32-24-30-22(26-13-16-7-3-1-4-8-16)29-23(31-24)28-18-9-5-2-6-10-18/h1-12,14H,13,15H2,(H3,26,28,29,30,31,32)
InChIK	VPXZEZWQCXIPLZ-UHFFFAOYSA-N
TotalMolweight	518.374
Molweight	518.374
MonoisotopicMass	517.086184
CLogP	7.6946
CLogS	-7.841
H Acceptors	9
H Donors	3
TotalSurfaceArea	360.61
Relative PSA	0.27398
PolarSurfaceArea	105.58
Druglikeness	0.72826
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 6-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 6-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

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