9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid,8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester,(13aS)-


Chemical Name: 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid,8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester,(13aS)-
CAS Number: 84379-13-5
Product Number: AG00G62S(AGN-PC-0URGGR)
Synonyms:
MDL No:
Molecular Formula: C19H20BrN3O3
Molecular Weight: 418.2844

Identification/Properties


Computed Properties
Molecular Weight:
418.291g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
417.069g/mol
Monoisotopic Mass:
417.069g/mol
Topological Polar Surface Area:
64.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
593
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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