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(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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![(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d5ae066a08e24cb994687a4305f718e3.png "(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one")
(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
structure -
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CAS No:
1212444-57-9
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Formula:
C19H21IN2O3
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Chemical Name:
(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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Synonyms:
Oprea1_684925;C19H21IN2O3;ZINC2118399;AB00091544-01;1212444-57-9
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CAS No:
(1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Basic Attributes
452.3 g/mol
452.05969 g/mol
Computed Properties
Molecular Weight:452.3
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:452.05969
Monoisotopic Mass:452.05969
Topological Polar Surface Area:53
Heavy Atom Count:25
Complexity:593
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (1R,9S)-11-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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