4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one
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![4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a88bf4b3b71b42bfb820d1b8e33632ce.png "4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one")
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one
structure -
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CAS No:
102988-42-1
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Formula:
C15H10BrClN4OS
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Chemical Name:
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one
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Synonyms:
102988-42-1;WE 1064;6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-one, 4,5-dihydro-2-bromo-4-(2-chlorophenyl)-9-methyl-;DTXSID30908141;2-Bromo-4-(2-chlorophenyl)-9-methyl-4,5-dihydro-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-one
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CAS No:
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-9-one Basic Attributes
409.7 g/mol
407.94472 g/mol
Computed Properties
Molecular Weight:409.7
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:407.94472
Monoisotopic Mass:407.94472
Topological Polar Surface Area:88
Heavy Atom Count:23
Complexity:486
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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