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

Formula:C20H25N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide is a drug-like molecule.

MolName	4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide
MolecularFormula	C20H25N4O2S2
Smiles	NS(c(cc1)ccc1NC(N1CC[NH+](C/C=C/c2ccccc2)CC1)=S)(=O)=O
InChI	InChI=1S/C20H24N4O2S2/c21-28(25,26)19-10-8-18(9-11-19)22-20(27)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,27)(H2,21,25,26)/p+1
InChIK	ZUQIFHLBPBLRRM-UHFFFAOYSA-O
TotalMolweight	417.577
Molweight	417.577
MonoisotopicMass	417.141891
CLogP	0.6675
CLogS	-3.167
H Acceptors	6
H Donors	3
TotalSurfaceArea	330.73
Relative PSA	0.31582
PolarSurfaceArea	120.34
Druglikeness	2.6001
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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