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1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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![1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f3c7ad1138ba442dbadc5346f8cefe19.png "1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea")
1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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CAS No:
717120-31-5
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Formula:
C21H20F3N5O
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Chemical Name:
1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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Synonyms:
SCHEMBL12857389;ZINC3211342;AKOS034355075;MCULE-8987200234;Z44577178;1-(3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)-3-[3-(trifluoromethyl)phenyl]urea;717120-31-5
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CAS No:
1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Basic Attributes
415.4 g/mol
415.16199476 g/mol
Computed Properties
Molecular Weight:415.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:415.16199476
Monoisotopic Mass:415.16199476
Topological Polar Surface Area:71.8
Heavy Atom Count:30
Complexity:590
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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