(5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C23H14N4O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C23H14N4O6S
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C2/Sc3nc(C4Oc(cccc5)c5OC4)nn3C2=O)o1)=O
InChI	InChI=1S/C23H14N4O6S/c28-22-20(11-13-9-10-16(32-13)14-5-1-2-6-15(14)27(29)30)34-23-24-21(25-26(22)23)19-12-31-17-7-3-4-8-18(17)33-19/h1-11,19H,12H2/t19-/m0/s1
InChIK	WLRSEVLGCSEBAZ-IBGZPJMESA-N
TotalMolweight	474.452
Molweight	474.452
MonoisotopicMass	474.063406
CLogP	3.1142
CLogS	-5.885
H Acceptors	10
TotalSurfaceArea	331.83
Relative PSA	0.37329
PolarSurfaceArea	150.5
Druglikeness	0.26576
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	racemate

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1 - (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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