5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H13N3O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is not a drug-like molecule.

MolName	5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H13N3O5Br2
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C20H13Br2N3O5/c21-13-3-1-12(2-4-13)11-16(24-20(27)17-9-10-18(22)30-17)19(26)23-14-5-7-15(8-6-14)25(28)29/h1-11H,(H,23,26)(H,24,27)
InChIK	JXFRRJKEUHZQPA-UHFFFAOYSA-N
TotalMolweight	535.147
Molweight	535.147
MonoisotopicMass	532.922194
CLogP	4.2387
CLogS	-6.446
H Acceptors	8
H Donors	2
TotalSurfaceArea	326.53
Relative PSA	0.28644
PolarSurfaceArea	117.16
Druglikeness	-4.2896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide | 2 - 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Request More Details | 5-bromo-N-[(E)-1-(4-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments