N-[(Z)-benzylideneamino]-6-bromo-4-phenylquinazolin-2-amine

Formula:C21H15N4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-6-bromo-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-benzylideneamino]-6-bromo-4-phenylquinazolin-2-amine
MolecularFormulaC21H15N4Br
SmilesBrc1cc2c(-c3ccccc3)nc(N/N=C\c3ccccc3)nc2cc1
InChIInChI=1S/C21H15BrN4/c22-17-11-12-19-18(13-17)20(16-9-5-2-6-10-16)25-21(24-19)26-23-14-15-7-3-1-4-8-15/h1-14H,(H,24,25,26)
InChIKGLWZOJHHARFAPG-UHFFFAOYSA-N
TotalMolweight403.282
Molweight403.282
MonoisotopicMass402.048007
CLogP7.4395
CLogS-6.529
H Acceptors4
H Donors1
TotalSurfaceArea279.75
Relative PSA0.16054
PolarSurfaceArea50.17
Druglikeness0.63254
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Symmetricatoms4
Aromatic Nitrogens2
StereoCon

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