 Home > Encyclopedia > (10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one

(10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one

(10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one structure

CAS No:
99442-64-5
Formula:
C21H31N3O2
Chemical Name:
(10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Synonyms:
99442-64-5;3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 8-butyl-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-;DTXSID60244064

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(10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one Basic Attributes

Molecular Weight：

357.5 g/mol

Exact Mass：

357.24162724 g/mol

DSSTox ID：

DTXSID60244064

Characteristics

PSA：

57.5 Å²

Computed Properties

Molecular Weight:357.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:357.24162724
Monoisotopic Mass:357.24162724
Topological Polar Surface Area:57.5
Heavy Atom Count:26
Complexity:484
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (10S,13S)-3-butyl-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one

Basic Attributes
Characteristics
Computed Properties

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