4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H16N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N2O3BrCl
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)ccc1Cl)NCc1ccco1
InChI	InChI=1S/C21H16BrClN2O3/c22-16-7-5-15(6-8-16)20(26)25-19(12-14-3-9-17(23)10-4-14)21(27)24-13-18-2-1-11-28-18/h1-12H,13H2,(H,24,27)(H,25,26)
InChIK	HJFINEMBNIOFQS-UHFFFAOYSA-N
TotalMolweight	459.726
Molweight	459.726
MonoisotopicMass	458.003281
CLogP	4.6531
CLogS	-5.941
H Acceptors	5
H Donors	2
TotalSurfaceArea	313.41
Relative PSA	0.20137
PolarSurfaceArea	71.34
Druglikeness	1.4009
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide

Request More Details | 4-bromo-N-[(E)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments