1-[2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide

Formula:C24H22N3O3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide is a drug-like molecule.

MolName	1-[2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetyl]piperidine-4-carboxamide
MolecularFormula	C24H22N3O3F3S
Smiles	NC(C(CC1)CCN1C(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)=O)=O
InChI	InChI=1S/C24H22F3N3O3S/c25-24(26,27)17-7-5-15(6-8-17)13-20-23(33)30(18-3-1-2-4-19(18)34-20)14-21(31)29-11-9-16(10-12-29)22(28)32/h1-8,13,16H,9-12,14H2,(H2,28,32)
InChIK	BTSAZIHFQVMVIG-UHFFFAOYSA-N
TotalMolweight	489.517
Molweight	489.517
MonoisotopicMass	489.133396
CLogP	2.542
CLogS	-5.24
H Acceptors	6
H Donors	1
TotalSurfaceArea	341.35
Relative PSA	0.23138
PolarSurfaceArea	109.01
Druglikeness	-0.23893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	3
StereoCon

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