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

Formula:C20H18N7OBrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(3-bromophenyl)-2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(3-bromophenyl)-2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H18N7OBrCl2
Smiles	Clc(ccc(/C=N\Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1)c1)c1Cl
InChI	InChI=1S/C20H18BrCl2N7O/c21-14-2-1-3-15(11-14)25-18-26-19(28-20(27-18)30-6-8-31-9-7-30)29-24-12-13-4-5-16(22)17(23)10-13/h1-5,10-12H,6-9H2,(H2,25,26,27,28,29)
InChIK	CIEYBCODJUHDLS-UHFFFAOYSA-N
TotalMolweight	523.221
Molweight	523.221
MonoisotopicMass	521.013323
CLogP	7.3991
CLogS	-7.322
H Acceptors	8
H Donors	2
TotalSurfaceArea	348.05
Relative PSA	0.23241
PolarSurfaceArea	87.56
Druglikeness	1.6515
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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