2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione

Formula:C23H14N2F4S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione is not a drug-like molecule.

MolName	2-[(E)-2-(2-fluorophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazoline-4-thione
MolecularFormula	C23H14N2F4S
Smiles	FC(c1cccc(N(C(/C=C/c(cccc2)c2F)=Nc2c3cccc2)C3=S)c1)(F)F
InChI	InChI=1S/C23H14F4N2S/c24-19-10-3-1-6-15(19)12-13-21-28-20-11-4-2-9-18(20)22(30)29(21)17-8-5-7-16(14-17)23(25,26)27/h1-14H
InChIK	XOOCCLRFFRRCAL-UHFFFAOYSA-N
TotalMolweight	426.436
Molweight	426.436
MonoisotopicMass	426.08138
CLogP	5.5892
CLogS	-6.08
H Acceptors	2
TotalSurfaceArea	307.57
Relative PSA	0.14
PolarSurfaceArea	47.69
Druglikeness	-6.8175
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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