Name: Name:3-bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid
Brand: Angene
SKU: AG0091NY
Rating: 90 (10 reviews)

3-bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid

CAS No.:

1094091-46-9

Catalog Number:

AG0091NY

Molecular Formula:

C12H16BrN3O4

Molecular Weight:

346.1771

Catalog Number:

AG0091NY

Chemical Name:

3-bromo-7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid

CAS Number:

1094091-46-9

Molecular Formula:

C12H16BrN3O4

Molecular Weight:

346.1771

MDL Number:

MFCD22631518

IUPAC Name:

3-bromo-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

InChI:

InChI=1S/C12H16BrN3O4/c1-12(2,3)20-11(19)15-4-5-16-7(6-15)8(9(17)18)14-10(16)13/h4-6H2,1-3H3,(H,17,18)

InChI Key:

XPSHWWXTUGQNPA-UHFFFAOYSA-N

SMILES:

O=C(N1CCn2c(C1)c(nc2Br)C(=O)O)OC(C)(C)C

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.181g/mol

Monoisotopic Mass:

345.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3