[(10S,13S)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-13-yl]methyl hexanoate
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[(10S,13S)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-13-yl]methyl hexanoate
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CAS No:
97306-38-2
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Formula:
C23H33N3O3
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Chemical Name:
[(10S,13S)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-13-yl]methyl hexanoate
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Synonyms:
97306-38-2;Hexanoic acid, (2,3,4,5,6,8-hexahydro-1-methyl-2-(1-methylethyl)-3-oxo-1H-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-5-yl)methyl ester, (2S-(2R*,5R*))-;DTXSID30242855
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CAS No:
[(10S,13S)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-13-yl]methyl hexanoate Basic Attributes
399.5 g/mol
399.25219192 g/mol
DTXSID30242855
Computed Properties
Molecular Weight:399.5
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:399.25219192
Monoisotopic Mass:399.25219192
Topological Polar Surface Area:74.4
Heavy Atom Count:29
Complexity:568
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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