(9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

Formula:C31H24N2O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.

MolName	(9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
MolecularFormula	C31H24N2O2F2S
Smiles	Fc1ccc(C2N(C(c(cc3)cc4c3OCCO4)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2F)cc1
InChI	InChI=1S/C31H24F2N2O2S/c32-23-9-4-19(5-10-23)16-22-2-1-3-25-29(22)34-31-35(30(25)20-6-11-24(33)12-7-20)26(18-38-31)21-8-13-27-28(17-21)37-15-14-36-27/h4-13,16-18,30H,1-3,14-15H2/t30-/m0/s1
InChIK	DDVOKAYPGUMMHU-PMERELPUSA-N
TotalMolweight	526.606
Molweight	526.606
MonoisotopicMass	526.152654
CLogP	7.2646
CLogS	-7.459
H Acceptors	4
TotalSurfaceArea	375.88
Relative PSA	0.13981
PolarSurfaceArea	59.36
Druglikeness	-9.1107
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	7
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
BasicNitrogens	1
StereoCon	racemate

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1 - (9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

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