(2Z)-N-benzyl-2-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetamide

Formula:C29H19N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-N-benzyl-2-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.

MolName	(2Z)-N-benzyl-2-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetamide
MolecularFormula	C29H19N4O4ClS
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C1/SC=C(c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)N1c1ccccc1
InChI	InChI=1S/C29H19ClN4O4S/c30-24-15-21(34(36)37)11-12-22(24)26-13-14-27(38-26)25-18-39-29(33(25)20-9-5-2-6-10-20)23(16-31)28(35)32-17-19-7-3-1-4-8-19/h1-15,18H,17H2,(H,32,35)
InChIK	YIZZCPHNTDTFIF-UHFFFAOYSA-N
TotalMolweight	555.013
Molweight	555.013
MonoisotopicMass	554.081553
CLogP	5.5704
CLogS	-8.457
H Acceptors	8
H Donors	1
TotalSurfaceArea	407.92
Relative PSA	0.25404
PolarSurfaceArea	140.39
Druglikeness	-4.2278
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB; aromatic nitro
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - (2Z)-N-benzyl-2-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-benzyl-2-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetamide

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