N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide

Formula:C22H15N4O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide is a drug-like molecule.

MolName	N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide
MolecularFormula	C22H15N4O3Br
Smiles	[O-][N+](c1cccc(/C=C(\c2nc(cccc3)c3[nH]2)/NC(c2cccc(Br)c2)=O)c1)=O
InChI	InChI=1S/C22H15BrN4O3/c23-16-7-4-6-15(13-16)22(28)26-20(12-14-5-3-8-17(11-14)27(29)30)21-24-18-9-1-2-10-19(18)25-21/h1-13H,(H,24,25)(H,26,28)
InChIK	IXVJSVKZKOIXOJ-UHFFFAOYSA-N
TotalMolweight	463.29
Molweight	463.29
MonoisotopicMass	462.032752
CLogP	3.738
CLogS	-5.518
H Acceptors	7
H Donors	2
TotalSurfaceArea	311.93
Relative PSA	0.25608
PolarSurfaceArea	103.6
Druglikeness	-4.6575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide | 2 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide

Request More Details | N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-3-bromobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments