6-bromo-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

Formula:C20H14N5O2BrS Mutagenic:none Tumorigenic:high Reproductive Effective:high 6-bromo-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.

MolName	6-bromo-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
MolecularFormula	C20H14N5O2BrS
Smiles	O=C(c1c(cc(cc2)Br)c2nc(-c2cccs2)c1)N/N=C1/c2nonc2CCC1
InChI	InChI=1S/C20H14BrN5O2S/c21-11-6-7-14-12(9-11)13(10-17(22-14)18-5-2-8-29-18)20(27)24-23-15-3-1-4-16-19(15)26-28-25-16/h2,5-10H,1,3-4H2,(H,24,27)
InChIK	WGHJSOFVSPOBLY-UHFFFAOYSA-N
TotalMolweight	468.334
Molweight	468.334
MonoisotopicMass	467.005156
CLogP	5.3085
CLogS	-6.2
H Acceptors	7
H Donors	1
TotalSurfaceArea	307.88
Relative PSA	0.33581
PolarSurfaceArea	121.51
Druglikeness	1.2936
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Aromatic Nitrogens	3
StereoCon

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1 - 6-bromo-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide | 2 - 6-bromo-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

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