2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide

Formula:C22H13N4O3BrS Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide is a drug-like molecule.

MolName	2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide
MolecularFormula	C22H13N4O3BrS
Smiles	NC(c(cccc1)c1N/C=C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)\C#N)=O
InChI	InChI=1S/C22H13BrN4O3S/c23-14-5-6-19-12(7-14)8-16(22(29)30-19)18-11-31-21(27-18)13(9-24)10-26-17-4-2-1-3-15(17)20(25)28/h1-8,10-11,26H,(H2,25,28)
InChIK	OZJMQRYHXRBHKZ-UHFFFAOYSA-N
TotalMolweight	493.34
Molweight	493.34
MonoisotopicMass	491.989172
CLogP	2.2929
CLogS	-5.263
H Acceptors	7
H Donors	2
TotalSurfaceArea	329.22
Relative PSA	0.32714
PolarSurfaceArea	146.34
Druglikeness	-2.4499
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide | 2 - 2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide

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