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

Formula:C22H22N7O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-benzyl-2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H22N7O3Br
Smiles	Brc1c(/C=N\Nc2nc(N3CCOCC3)nc(NCc3ccccc3)n2)cc2OCOc2c1
InChI	InChI=1S/C22H22BrN7O3/c23-17-11-19-18(32-14-33-19)10-16(17)13-25-29-21-26-20(24-12-15-4-2-1-3-5-15)27-22(28-21)30-6-8-31-9-7-30/h1-5,10-11,13H,6-9,12,14H2,(H2,24,26,27,28,29)
InChIK	ODBWVOYCXCISMV-UHFFFAOYSA-N
TotalMolweight	512.367
Molweight	512.367
MonoisotopicMass	511.096749
CLogP	5.8332
CLogS	-6.366
H Acceptors	10
H Donors	2
TotalSurfaceArea	351.23
Relative PSA	0.28725
PolarSurfaceArea	106.02
Druglikeness	1.6272
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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