N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide

Formula:C21H15N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
MolecularFormula	C21H15N2O5Br
Smiles	O=C(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)Nc1ccccc1
InChI	InChI=1S/C21H15BrN2O5/c22-19-9-8-17(29-19)21(26)24-15(20(25)23-14-4-2-1-3-5-14)10-13-6-7-16-18(11-13)28-12-27-16/h1-11H,12H2,(H,23,25)(H,24,26)
InChIK	UDXPVKCCAYEJEH-UHFFFAOYSA-N
TotalMolweight	455.263
Molweight	455.263
MonoisotopicMass	454.016434
CLogP	4.5465
CLogS	-5.863
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.49
Relative PSA	0.27295
PolarSurfaceArea	89.8
Druglikeness	0.72908
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide | 2 - N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide

Request More Details | N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments