N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C28H21N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-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-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C28H21N5O6
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)ccc1)=O
InChI	InChI=1S/C28H21N5O6/c34-27(20-5-2-1-3-6-20)30-24(15-19-8-13-25-26(16-19)39-18-38-25)28(35)31-29-17-23-7-4-14-32(23)21-9-11-22(12-10-21)33(36)37/h1-17H,18H2,(H,30,34)(H,31,35)
InChIK	KQVKWPCBEDOXCO-UHFFFAOYSA-N
TotalMolweight	523.504
Molweight	523.504
MonoisotopicMass	523.149185
CLogP	4.247
CLogS	-8.974
H Acceptors	11
H Donors	2
TotalSurfaceArea	393.56
Relative PSA	0.29932
PolarSurfaceArea	139.77
Druglikeness	1.777
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-(1,3-benzodioxol-5-yl)-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