N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Formula:C22H27N3OF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide is a drug-like molecule.

MolName	N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide
MolecularFormula	C22H27N3OF2
Smiles	O=C(CC[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1)Nc(cc1)cc(F)c1F
InChI	InChI=1S/C22H25F2N3O/c23-20-9-8-19(17-21(20)24)25-22(28)10-12-27-15-13-26(14-16-27)11-4-7-18-5-2-1-3-6-18/h1-9,17H,10-16H2,(H,25,28)/p+2
InChIK	HBTNDGBWWWQODL-UHFFFAOYSA-P
TotalMolweight	387.472
Molweight	387.472
MonoisotopicMass	387.212218
CLogP	-0.6489
CLogS	-3.388
H Acceptors	4
H Donors	3
TotalSurfaceArea	332.93
Relative PSA	0.17926
PolarSurfaceArea	37.98
Druglikeness	-0.49076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide | 2 - N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Request More Details | N-(3,4-difluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments