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

Formula:C20H20N7OBr Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H20N7OBr
Smiles	Brc1c(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)cccc1
InChI	InChI=1S/C20H20BrN7O/c21-17-9-5-4-6-15(17)14-22-27-19-24-18(23-16-7-2-1-3-8-16)25-20(26-19)28-10-12-29-13-11-28/h1-9,14H,10-13H2,(H2,23,24,25,26,27)
InChIK	ZVMRGQUNVFYBIW-UHFFFAOYSA-N
TotalMolweight	454.331
Molweight	454.331
MonoisotopicMass	453.091269
CLogP	6.1871
CLogS	-5.85
H Acceptors	8
H Donors	2
TotalSurfaceArea	317.21
Relative PSA	0.255
PolarSurfaceArea	87.56
Druglikeness	1.6359
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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