N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Formula:C26H26N5O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide is not a drug-like molecule.

MolName	N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide
MolecularFormula	C26H26N5O6F
Smiles	[O-][N+](c1c(/C=C/C(NC2(CCNCC2)C(NCCc2c[nH]c(cc3)c2cc3F)=O)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C26H26FN5O6/c27-18-2-3-20-19(12-18)17(14-30-20)5-8-29-25(34)26(6-9-28-10-7-26)31-24(33)4-1-16-11-22-23(38-15-37-22)13-21(16)32(35)36/h1-4,11-14,28,30H,5-10,15H2,(H,29,34)(H,31,33)
InChIK	AJGOWABWZKZHCY-UHFFFAOYSA-N
TotalMolweight	523.519
Molweight	523.519
MonoisotopicMass	523.186713
CLogP	-0.234
CLogS	-5.561
H Acceptors	11
H Donors	4
TotalSurfaceArea	383.32
Relative PSA	0.32576
PolarSurfaceArea	150.3
Druglikeness	-3.2548
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	12
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Request More Details | N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments