N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H20N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H20N6O6
Smiles	[O-][N+](c1ccc(/C=C(/C(N/N=C\c2cccn2-c(cc2)ccc2[N+]([O-])=O)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C27H20N6O6/c34-26(20-5-2-1-3-6-20)29-25(17-19-8-10-22(11-9-19)32(36)37)27(35)30-28-18-24-7-4-16-31(24)21-12-14-23(15-13-21)33(38)39/h1-18H,(H,29,34)(H,30,35)
InChIK	XJCWJVXWGWGZCU-UHFFFAOYSA-N
TotalMolweight	524.492
Molweight	524.492
MonoisotopicMass	524.144434
CLogP	3.214
CLogS	-8.723
H Acceptors	12
H Donors	2
TotalSurfaceArea	396.97
Relative PSA	0.323
PolarSurfaceArea	167.13
Druglikeness	1.8666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments