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

Formula:C23H18N4OBrCl Mutagenic:low Tumorigenic:high Reproductive Effective:high N-[(Z)-[4-(2-bromoethoxy)phenyl]methylideneamino]-6-chloro-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[4-(2-bromoethoxy)phenyl]methylideneamino]-6-chloro-4-phenylquinazolin-2-amine
MolecularFormula	C23H18N4OBrCl
Smiles	Clc1ccc2nc(N/N=C\c(cc3)ccc3OCCBr)nc(-c3ccccc3)c2c1
InChI	InChI=1S/C23H18BrClN4O/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	UDPBJXZSOUTYHP-UHFFFAOYSA-N
TotalMolweight	481.78
Molweight	481.78
MonoisotopicMass	480.035249
CLogP	8.0169
CLogS	-7.292
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.69
Relative PSA	0.16505
PolarSurfaceArea	59.4
Druglikeness	-3.9675
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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