4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

Formula:C20H16N5O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C20H16N5O3Cl
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2ccc(Cn3ncc(Cl)c3)cc2)=O)cccc1)=O
InChI	InChI=1S/C20H16ClN5O3/c21-18-12-23-25(14-18)13-15-7-9-17(10-8-15)20(27)24-22-11-3-5-16-4-1-2-6-19(16)26(28)29/h1-12,14H,13H2,(H,24,27)
InChIK	QPZDHXXNQOCXOS-UHFFFAOYSA-N
TotalMolweight	409.832
Molweight	409.832
MonoisotopicMass	409.094167
CLogP	2.3241
CLogS	-4.766
H Acceptors	8
H Donors	1
TotalSurfaceArea	314.06
Relative PSA	0.26832
PolarSurfaceArea	105.1
Druglikeness	0.94247
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide | 2 - 4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

Request More Details | 4-[(4-chloropyrazol-1-yl)methyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments