2-N-[(Z)-(4-bromophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C21H22N7Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(4-bromophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(4-bromophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H22N7Br
Smiles	Brc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)cc1
InChI	InChI=1S/C21H22BrN7/c22-17-11-9-16(10-12-17)15-23-28-20-25-19(24-18-7-3-1-4-8-18)26-21(27-20)29-13-5-2-6-14-29/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25,26,27,28)
InChIK	XGMZEHXIPJHEHP-UHFFFAOYSA-N
TotalMolweight	452.359
Molweight	452.359
MonoisotopicMass	451.112004
CLogP	7.3511
CLogS	-6.739
H Acceptors	7
H Donors	2
TotalSurfaceArea	320.97
Relative PSA	0.22086
PolarSurfaceArea	78.33
Druglikeness	1.1778
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-(4-bromophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(4-bromophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

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