N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

Formula:C27H18N5O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
MolecularFormula	C27H18N5O4BrS
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\NC(c(cc2)ccc2Nc2nc(-c3ccccc3)cs2)=O)o1)=O
InChI	InChI=1S/C27H18BrN5O4S/c28-23-14-20(33(35)36)10-12-22(23)25-13-11-21(37-25)15-29-32-26(34)18-6-8-19(9-7-18)30-27-31-24(16-38-27)17-4-2-1-3-5-17/h1-16H,(H,30,31)(H,32,34)
InChIK	VLWLSIQPLLAMFF-UHFFFAOYSA-N
TotalMolweight	588.441
Molweight	588.441
MonoisotopicMass	587.026286
CLogP	6.6796
CLogS	-9.564
H Acceptors	9
H Donors	2
TotalSurfaceArea	404.42
Relative PSA	0.30496
PolarSurfaceArea	153.58
Druglikeness	0.77734
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65789
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide | 2 - N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

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