2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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![2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/227c209e838f4a8ab71002b00222caa1.png "2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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CAS No:
116564-78-4
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Formula:
C15H18N2O3S
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Chemical Name:
2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Synonyms:
116564-78-4;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3,10,11,11a-tetrahydro-7,8-dimethoxy-11-methylthio)-;DTXSID00922096;7,8-Dimethoxy-11-(methylsulfanyl)-3,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
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CAS No:
2,3-dimethoxy-6-methylsulfanyl-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Basic Attributes
306.4 g/mol
306.10381361 g/mol
Computed Properties
Molecular Weight:306.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:306.10381361
Monoisotopic Mass:306.10381361
Topological Polar Surface Area:76.1
Heavy Atom Count:21
Complexity:431
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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