Home
>
Encyclopedia
>
1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
-
![1-[4-(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/f2e9c95162bb47e0a6eb78d4f71f5df6.png "1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea")
1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
structure -
-
CAS No:
716364-73-7
-
Formula:
C21H20F3N5O
-
Chemical Name:
1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
-
Synonyms:
ZINC3193233;AKOS008005500;MCULE-8869664486;Z44612134;1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)-3-[3-(trifluoromethyl)phenyl]urea;716364-73-7
-
CAS No:
1-[4-(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:582
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Request for Quotation