phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone
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![phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4b2ef35d2a414b90a62ddc848e8744fa.png "phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone")
phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone
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CAS No:
72031-22-2
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Formula:
C21H23N3O
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Chemical Name:
phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone
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Synonyms:
72031-22-2;1,4-Ethano-1H-pyrido[3,2-b][1,5]benzodiazepine, 10-benzoyl-2,3,4,4a,5,10,11,11a-octahydro-;10-Benzoyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine;Oprea1_610890;OPWYHABVMQCCBC-UHFFFAOYSA-;DTXSID70992721;1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-benzoyl-;2,3,4,4a,5,10,11,11a-Octahydro-10-benzoyl-1,4-ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine;(3,4,4a,5,11,11a-Hexahydro-1,4-ethanopyrido[3,2-b][1,5]benzodiazepin-10(2H)-yl)(phenyl)methanone
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CAS No:
phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone Basic Attributes
333.4 g/mol
333.184112366 g/mol
Computed Properties
Molecular Weight:333.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:333.184112366
Monoisotopic Mass:333.184112366
Topological Polar Surface Area:35.6
Heavy Atom Count:25
Complexity:495
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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