4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Formula:C19H21N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole is a drug-like molecule.

MolName	4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
MolecularFormula	C19H21N4O2S2
Smiles	O=S(c1cccc2nsnc12)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O
InChI	InChI=1S/C19H20N4O2S2/c24-27(25,18-10-4-9-17-19(18)21-26-20-17)23-14-12-22(13-15-23)11-5-8-16-6-2-1-3-7-16/h1-10H,11-15H2/p+1
InChIK	PVIJATJBOZEYAB-UHFFFAOYSA-O
TotalMolweight	401.534
Molweight	401.534
MonoisotopicMass	401.110591
CLogP	1.398
CLogS	1.204
H Acceptors	6
H Donors	1
TotalSurfaceArea	306.1
Relative PSA	0.30062
PolarSurfaceArea	104.22
Druglikeness	2.0328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	5
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole | 2 - 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Request More Details | 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments