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

Formula:C31H24N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.

MolName	(9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
MolecularFormula	C31H24N2O2Cl2S
Smiles	Clc1ccc(C2N(C(c(cc3)cc4c3OCCO4)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2Cl)cc1
InChI	InChI=1S/C31H24Cl2N2O2S/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	YQFBZHJIWZTJAA-PMERELPUSA-N
TotalMolweight	559.516
Molweight	559.516
MonoisotopicMass	558.093552
CLogP	8.275
CLogS	-8.303
H Acceptors	4
TotalSurfaceArea	394.02
Relative PSA	0.13337
PolarSurfaceArea	59.36
Druglikeness	-7.6992
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)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

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