(10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-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)-3,9-dimethyl-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/c809b5f49c674e0e872278cc191cdc36.png "(10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-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)-3,9-dimethyl-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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CAS No:
99414-59-2
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Formula:
C18H25N3O2
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Chemical Name:
(10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-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:
99414-59-2;3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1,8-dimethyl-2-(1-methylethyl)-, (2S,5S)-;DTXSID90244057;1,8-Dimethyl-2beta-isopropyl-1,2,4,5,6,8-hexahydro-5alpha-(hydroxymethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-3-one
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CAS No:
(10S,13S)-13-(hydroxymethyl)-3,9-dimethyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one Basic Attributes
315.4 g/mol
315.19467705 g/mol
DTXSID90244057
Computed Properties
Molecular Weight:315.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:315.19467705
Monoisotopic Mass:315.19467705
Topological Polar Surface Area:57.5
Heavy Atom Count:23
Complexity:442
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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