4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C24H20N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C24H20N3O4Br
Smiles	[O-][N+](c1ccc(/C=C(\C(NCCc2ccccc2)=O)/NC(c(cc2)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C24H20BrN3O4/c25-20-10-8-19(9-11-20)23(29)27-22(16-18-6-12-21(13-7-18)28(31)32)24(30)26-15-14-17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,26,30)(H,27,29)
InChIK	SDFDTRCIMNYHAI-UHFFFAOYSA-N
TotalMolweight	494.344
Molweight	494.344
MonoisotopicMass	493.063718
CLogP	4.3669
CLogS	-6.095
H Acceptors	7
H Donors	2
TotalSurfaceArea	345.73
Relative PSA	0.22972
PolarSurfaceArea	104.02
Druglikeness	-3.35
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide | 2 - 4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Request More Details | 4-bromo-N-[(E)-1-(4-nitrophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments