(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

Formula:C21H18N2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione is a drug-like molecule.

MolName	(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
MolecularFormula	C21H18N2F2S
Smiles	Fc1c(C(C(CCC/C2=C\c(cccc3)c3F)=C2N2)NC2=S)cccc1
InChI	InChI=1S/C21H18F2N2S/c22-17-10-3-1-6-13(17)12-14-7-5-9-16-19(14)24-21(26)25-20(16)15-8-2-4-11-18(15)23/h1-4,6,8,10-12,20H,5,7,9H2,(H2,24,25,26)/t20-/m0/s1
InChIK	YOEKQKPKLQYUDG-FQEVSTJZSA-N
TotalMolweight	368.45
Molweight	368.45
MonoisotopicMass	368.115874
CLogP	4.8506
CLogS	-5.476
H Acceptors	2
H Donors	2
TotalSurfaceArea	275.76
Relative PSA	0.18465
PolarSurfaceArea	56.15
Druglikeness	-3.27
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon	racemate

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