(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
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![(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4d0d69d067bf49709318acef9b665f04.png "(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one")
(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
structure -
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CAS No:
99414-62-7
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Formula:
C25H39N3O2
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Chemical Name:
(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
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Synonyms:
99414-62-7;DTXSID40912714;3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-8-octyl-, (2S-(2R*,5R*))-;5-(Hydroxymethyl)-1-methyl-8-octyl-2-(propan-2-yl)-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol
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CAS No:
(10S,13S)-13-(hydroxymethyl)-9-methyl-3-octyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one Basic Attributes
413.6 g/mol
413.30422750 g/mol
Computed Properties
Molecular Weight:413.6
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:413.30422750
Monoisotopic Mass:413.30422750
Topological Polar Surface Area:57.5
Heavy Atom Count:30
Complexity:541
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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