N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Formula:C20H23N3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide is a drug-like molecule.

MolName	N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide
MolecularFormula	C20H23N3FS
Smiles	Fc(cc1)ccc1NC(N1CC[NH+](C/C=C/c2ccccc2)CC1)=S
InChI	InChI=1S/C20H22FN3S/c21-18-8-10-19(11-9-18)22-20(25)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,25)/p+1
InChIK	GXYYQRTVPMHUOF-UHFFFAOYSA-O
TotalMolweight	356.488
Molweight	356.488
MonoisotopicMass	356.15967
CLogP	2.0043
CLogS	-3.582
H Acceptors	3
H Donors	2
TotalSurfaceArea	299.98
Relative PSA	0.20201
PolarSurfaceArea	51.8
Druglikeness	0.062746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide | 2 - N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Request More Details | N-(4-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments