2-butyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-thione

Formula:C11H14N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-butyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-thione is a drug-like molecule.

MolName	2-butyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-thione
MolecularFormula	C11H14N2O2S2
Smiles	CCCCN(C(Nc1c2cccc1)=S)S2(=O)=O
InChI	InChI=1S/C11H14N2O2S2/c1-2-3-8-13-11(16)12-9-6-4-5-7-10(9)17(13,14)15/h4-7H,2-3,8H2,1H3,(H,12,16)
InChIK	MRMOLBZHFPXAOR-UHFFFAOYSA-N
TotalMolweight	270.376
Molweight	270.376
MonoisotopicMass	270.049668
CLogP	2.2305
CLogS	-2.561
H Acceptors	4
H Donors	1
TotalSurfaceArea	196.35
Relative PSA	0.3646
PolarSurfaceArea	89.88
Druglikeness	0.6
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	1
Amides	1
StereoCon

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1 - 2-butyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-thione | 2 - 2-butyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-thione

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