N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H23N5O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C26H23N5O5
Smiles	[O-][N+](c1cc(-c2ccc(/C=C(\C(NCCCn3cncc3)=O)/NC(c3ccccc3)=O)o2)ccc1)=O
InChI	InChI=1S/C26H23N5O5/c32-25(19-6-2-1-3-7-19)29-23(26(33)28-12-5-14-30-15-13-27-18-30)17-22-10-11-24(36-22)20-8-4-9-21(16-20)31(34)35/h1-4,6-11,13,15-18H,5,12,14H2,(H,28,33)(H,29,32)
InChIK	YYJWXGFTAYWOPA-UHFFFAOYSA-N
TotalMolweight	485.499
Molweight	485.499
MonoisotopicMass	485.16992
CLogP	2.6541
CLogS	-4.971
H Acceptors	10
H Donors	2
TotalSurfaceArea	378.27
Relative PSA	0.29442
PolarSurfaceArea	134.98
Druglikeness	1.9031
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments