3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
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![3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/98c8cf6cb24749e4b21ab676d41daece.png "3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea")
3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
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CAS No:
722482-91-9
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Formula:
C21H22FN5O
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Chemical Name:
3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
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Synonyms:
SMR000062037;MLS000057127;MLS002636858;CHEMBL2133052;HMS2299L08;ZINC3253357;AKOS034462945;MCULE-4419260307;Z56874438;3-(4-fluorophenyl)-1-phenyl-1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea;722482-91-9
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CAS No:
3-(4-fluorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Basic Attributes
379.4 g/mol
379.18083850 g/mol
Computed Properties
Molecular Weight:379.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:379.18083850
Monoisotopic Mass:379.18083850
Topological Polar Surface Area:63
Heavy Atom Count:28
Complexity:507
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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