(2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide

Formula:C26H18N7O6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide is not a drug-like molecule.

MolName	(2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide
MolecularFormula	C26H18N7O6F3
Smiles	NC(N/N=C(/CC1=Nc(ccc(C(c2ccccc2)=O)c2)c2NC1=O)\C(Nc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C26H18F3N7O6/c27-26(28,29)15-7-9-17(21(11-15)36(41)42)32-24(39)20(34-35-25(30)40)12-19-23(38)33-18-10-14(6-8-16(18)31-19)22(37)13-4-2-1-3-5-13/h1-11H,12H2,(H,32,39)(H,33,38)(H3,30,35,40)
InChIK	ODQSSSYQAXSLIF-UHFFFAOYSA-N
TotalMolweight	581.466
Molweight	581.466
MonoisotopicMass	581.127067
CLogP	1.3029
CLogS	-7.39
H Acceptors	13
H Donors	4
TotalSurfaceArea	406.01
Relative PSA	0.38238
PolarSurfaceArea	200.93
Druglikeness	-6.3372
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	42
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	3
AcidicOxygens	1
StereoCon

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1 - (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide | 2 - (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide

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