ethyl 2-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate

Formula:C20H17N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate is a drug-like molecule.

MolName	ethyl 2-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
MolecularFormula	C20H17N2O4F3S
Smiles	CCOC(c(cccc1)c1NC(C[C@@H]1Sc(ccc(C(F)(F)F)c2)c2NC1=O)=O)=O
InChI	InChI=1S/C20H17F3N2O4S/c1-2-29-19(28)12-5-3-4-6-13(12)24-17(26)10-16-18(27)25-14-9-11(20(21,22)23)7-8-15(14)30-16/h3-9,16H,2,10H2,1H3,(H,24,26)(H,25,27)/t16-/m0/s1
InChIK	ZHFVLXXINALMEI-INIZCTEOSA-N
TotalMolweight	438.425
Molweight	438.425
MonoisotopicMass	438.086112
CLogP	2.8238
CLogS	-5.243
H Acceptors	6
H Donors	2
TotalSurfaceArea	304.92
Relative PSA	0.29362
PolarSurfaceArea	109.8
Druglikeness	-6.5655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

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1 - ethyl 2-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate | 2 - ethyl 2-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate

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