2-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Formula:C18H9N2OBrClFS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is not a drug-like molecule.

MolName	2-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
MolecularFormula	C18H9N2OBrClFS2
Smiles	O=C1NC(/C(/Cl)=C/c(cc(cc2)Br)c2F)=Nc2c1c(-c1cccs1)cs2
InChI	InChI=1S/C18H9BrClFN2OS2/c19-10-3-4-13(21)9(6-10)7-12(20)16-22-17(24)15-11(8-26-18(15)23-16)14-2-1-5-25-14/h1-8H,(H,22,23,24)
InChIK	UKAHUMVNCRRWBO-UHFFFAOYSA-N
TotalMolweight	467.769
Molweight	467.769
MonoisotopicMass	465.901219
CLogP	5.5063
CLogS	-7.471
H Acceptors	3
H Donors	1
TotalSurfaceArea	288.45
Relative PSA	0.26601
PolarSurfaceArea	97.94
Druglikeness	2.408
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Amides	1
StereoCon

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1 - 2-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one | 2 - 2-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

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