N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide

Formula:C21H17N2O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide
MolecularFormula	C21H17N2O3Br
Smiles	O=C(/C(/NC(c1cccc(Br)c1)=O)=C\c1ccco1)NCc1ccccc1
InChI	InChI=1S/C21H17BrN2O3/c22-17-9-4-8-16(12-17)20(25)24-19(13-18-10-5-11-27-18)21(26)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H,24,25)
InChIK	UMVPBDKEWSMPJP-UHFFFAOYSA-N
TotalMolweight	425.281
Molweight	425.281
MonoisotopicMass	424.042254
CLogP	4.0471
CLogS	-5.205
H Acceptors	5
H Donors	2
TotalSurfaceArea	297.99
Relative PSA	0.21179
PolarSurfaceArea	71.34
Druglikeness	1.33
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide | 2 - N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide

Request More Details | N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments