N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C25H23N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C25H23N3O6
Smiles	[O-][N+](c1cc(-c2ccc(/C=C(\C(NCC3OCCC3)=O)/NC(c3ccccc3)=O)o2)ccc1)=O
InChI	InChI=1S/C25H23N3O6/c29-24(17-6-2-1-3-7-17)27-22(25(30)26-16-21-10-5-13-33-21)15-20-11-12-23(34-20)18-8-4-9-19(14-18)28(31)32/h1-4,6-9,11-12,14-15,21H,5,10,13,16H2,(H,26,30)(H,27,29)/t21-/m1/s1
InChIK	RTVXTEXVIGKRLB-OAQYLSRUSA-N
TotalMolweight	461.473
Molweight	461.473
MonoisotopicMass	461.158687
CLogP	3.0322
CLogS	-5.971
H Acceptors	9
H Donors	2
TotalSurfaceArea	353.31
Relative PSA	0.29303
PolarSurfaceArea	126.39
Druglikeness	-1.9518
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Request More Details | N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments