N-(1,3-benzodioxol-5-ylmethyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide

Formula:C26H19N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-ylmethyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide is not a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-ylmethyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide
MolecularFormula	C26H19N2O4F3S
Smiles	O=C(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)NCc(cc1)cc2c1OCO2
InChI	InChI=1S/C26H19F3N2O4S/c27-26(28,29)18-8-5-16(6-9-18)12-23-25(33)31(19-3-1-2-4-22(19)36-23)14-24(32)30-13-17-7-10-20-21(11-17)35-15-34-20/h1-12H,13-15H2,(H,30,32)
InChIK	RKYFFLPHEOUJHK-UHFFFAOYSA-N
TotalMolweight	512.507
Molweight	512.507
MonoisotopicMass	512.101762
CLogP	4.0768
CLogS	-6.969
H Acceptors	6
H Donors	1
TotalSurfaceArea	355.98
Relative PSA	0.22074
PolarSurfaceArea	93.17
Druglikeness	-1.9722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Amides	2
StereoCon

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1 - N-(1,3-benzodioxol-5-ylmethyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide | 2 - N-(1,3-benzodioxol-5-ylmethyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide

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