4-N-[(E)-(4-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

Formula:C24H18N6OBrF3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-[(E)-(4-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-[(E)-(4-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
MolecularFormula	C24H18N6OBrF3
Smiles	FC(COc1nc(N(c2ccccc2)c2ccccc2)nc(N/N=C/c(cc2)ccc2Br)n1)(F)F
InChI	InChI=1S/C24H18BrF3N6O/c25-18-13-11-17(12-14-18)15-29-33-21-30-22(32-23(31-21)35-16-24(26,27)28)34(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16H2,(H,30,31,32,33)
InChIK	UGMPPFFMKYIWQP-UHFFFAOYSA-N
TotalMolweight	543.346
Molweight	543.346
MonoisotopicMass	542.067754
CLogP	8.4027
CLogS	-9.403
H Acceptors	7
H Donors	1
TotalSurfaceArea	367.19
Relative PSA	0.18908
PolarSurfaceArea	75.53
Druglikeness	-6.0185
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	12
Aromatic Nitrogens	3
StereoCon

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1 - 4-N-[(E)-(4-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(E)-(4-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

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