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

Formula:C21H19N7OBrF3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(3-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(3-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H19N7OBrF3
Smiles	FC(c1cccc(Nc2nc(N/N=C\c3cccc(Br)c3)nc(N3CCOCC3)n2)c1)(F)F
InChI	InChI=1S/C21H19BrF3N7O/c22-16-5-1-3-14(11-16)13-26-31-19-28-18(29-20(30-19)32-7-9-33-10-8-32)27-17-6-2-4-15(12-17)21(23,24)25/h1-6,11-13H,7-10H2,(H2,27,28,29,30,31)
InChIK	APEFYYLUTKIODG-UHFFFAOYSA-N
TotalMolweight	522.328
Molweight	522.328
MonoisotopicMass	521.078653
CLogP	7.0354
CLogS	-6.628
H Acceptors	8
H Donors	2
TotalSurfaceArea	346.67
Relative PSA	0.23333
PolarSurfaceArea	87.56
Druglikeness	-5.5541
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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