1-[(2R)-2-methylpiperidin-1-yl]-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone

Formula:C19H24N5OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2R)-2-methylpiperidin-1-yl]-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone is a drug-like molecule.

MolName	1-[(2R)-2-methylpiperidin-1-yl]-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
MolecularFormula	C19H24N5OF3S
Smiles	C[C@H](CCCC1)N1C(CSc1nnc(CNc2cc(C(F)(F)F)ccc2)n1C)=O
InChI	InChI=1S/C19H24F3N5OS/c1-13-6-3-4-9-27(13)17(28)12-29-18-25-24-16(26(18)2)11-23-15-8-5-7-14(10-15)19(20,21)22/h5,7-8,10,13,23H,3-4,6,9,11-12H2,1-2H3/t13-/m1/s1
InChIK	IOWGNGIMUDORPK-CYBMUJFWSA-N
TotalMolweight	427.494
Molweight	427.494
MonoisotopicMass	427.165364
CLogP	2.9831
CLogS	-2.962
H Acceptors	6
H Donors	1
TotalSurfaceArea	312.28
Relative PSA	0.23809
PolarSurfaceArea	88.35
Druglikeness	-2.7582
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - 1-[(2R)-2-methylpiperidin-1-yl]-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone | 2 - 1-[(2R)-2-methylpiperidin-1-yl]-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone

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