2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
-
![2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/64a1ef87e99b409395255f2416a3b733.png "2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate")
2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
structure -
-
CAS No:
87033-55-4
-
Formula:
C21H22N2O4S
-
Chemical Name:
2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
-
Synonyms:
87033-55-4;10-(2-Dimethylaminoethyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile hydrogen oxalate;Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-, ethanedioate (1:1)
-
CAS No:
2-(5-cyano-6H-benzo[b][1]benzothiepin-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate Basic Attributes
398.5 g/mol
398.13002836 g/mol
Computed Properties
Molecular Weight:398.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:398.13002836
Monoisotopic Mass:398.13002836
Topological Polar Surface Area:131
Heavy Atom Count:28
Complexity:504
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Request for Quotation