(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile

Formula:C22H12N3O3BrF2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile
MolecularFormula	C22H12N3O3BrF2S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\Nc(cccc1)c1OC(F)F
InChI	InChI=1S/C22H12BrF2N3O3S/c23-14-5-6-18-12(7-14)8-15(21(29)30-18)17-11-32-20(28-17)13(9-26)10-27-16-3-1-2-4-19(16)31-22(24)25/h1-8,10-11,22,27H
InChIK	OKAAKFMYTPZQGH-UHFFFAOYSA-N
TotalMolweight	516.321
Molweight	516.321
MonoisotopicMass	514.975079
CLogP	3.375
CLogS	-5.796
H Acceptors	6
H Donors	1
TotalSurfaceArea	338.15
Relative PSA	0.26435
PolarSurfaceArea	112.48
Druglikeness	-5.6905
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile | 2 - (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)anilino]prop-2-enenitrile

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