N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Formula:C20H22N3OF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
MolecularFormula	C20H22N3OF2
Smiles	O=C(Nc(ccc(F)c1)c1F)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H21F2N3O/c21-17-8-9-19(18(22)15-17)23-20(26)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26)/p+1
InChIK	HYVAQNITSMNNLK-UHFFFAOYSA-O
TotalMolweight	358.411
Molweight	358.411
MonoisotopicMass	358.173093
CLogP	1.7084
CLogS	-3.812
H Acceptors	4
H Donors	2
TotalSurfaceArea	291.37
Relative PSA	0.15664
PolarSurfaceArea	36.78
Druglikeness	1.6689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide | 2 - N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Request More Details | N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments