6-bromo-N-[(Z)-[4-(2-bromoethoxy)phenyl]methylideneamino]-4-phenylquinazolin-2-amine

Formula:C23H18N4OBr2 Mutagenic:low Tumorigenic:high Reproductive Effective:high 6-bromo-N-[(Z)-[4-(2-bromoethoxy)phenyl]methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolName	6-bromo-N-[(Z)-[4-(2-bromoethoxy)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
MolecularFormula	C23H18N4OBr2
Smiles	BrCCOc1ccc(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)cc1
InChI	InChI=1S/C23H18Br2N4O/c24-12-13-30-19-9-6-16(7-10-19)15-26-29-23-27-21-11-8-18(25)14-20(21)22(28-23)17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,27,28,29)
InChIK	IYTITNMLURFZGZ-UHFFFAOYSA-N
TotalMolweight	526.231
Molweight	526.231
MonoisotopicMass	523.984733
CLogP	8.1361
CLogS	-7.39
H Acceptors	5
H Donors	1
TotalSurfaceArea	335.9
Relative PSA	0.16347
PolarSurfaceArea	59.4
Druglikeness	-4.0112
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	prim. alkyl-bromide/iodide; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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