(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

Formula:C24H15N3O4S Mutagenic:low Tumorigenic:high Reproductive Effective:none (2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is a drug-like molecule.

MolName	(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
MolecularFormula	C24H15N3O4S
Smiles	[O-][N+](c1ccc(/C=C/C=C2\Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)o1)=O
InChI	InChI=1S/C24H15N3O4S/c28-23-19(13-7-12-18-14-15-20(31-18)27(29)30)32-24-25-21(16-8-3-1-4-9-16)22(26(23)24)17-10-5-2-6-11-17/h1-15H
InChIK	IYEYAAGTWAFIPX-UHFFFAOYSA-N
TotalMolweight	441.466
Molweight	441.466
MonoisotopicMass	441.078327
CLogP	4.8423
CLogS	-7.274
H Acceptors	7
TotalSurfaceArea	326.81
Relative PSA	0.28426
PolarSurfaceArea	119.15
Druglikeness	0.34763
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one | 2 - (2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

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