2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone
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![2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/09ff97b0c5574306a0136246c0dd4cad.png "2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone")
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone
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CAS No:
730938-21-3
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Formula:
C17H20F3N5OS
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Chemical Name:
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone
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Synonyms:
ZINC3300453;AKOS017007015;MCULE-3203699834;SR-01000041362;SR-01000041362-1;Z19254194;2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-benzylpiperidin-1-yl)ethan-1-one;730938-21-3
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CAS No:
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Basic Attributes
399.4 g/mol
399.13406594 g/mol
Computed Properties
Molecular Weight:399.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:399.13406594
Monoisotopic Mass:399.13406594
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:496
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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