Name: Name:Imidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG000K7Z
Rating: 90 (10 reviews)

Imidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) ester

CAS No.:

1232423-55-0

Catalog Number:

AG000K7Z

Molecular Formula:

C16H20BrN3O4

Molecular Weight:

398.2517

Catalog Number:

AG000K7Z

Chemical Name:

Imidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) ester

CAS Number:

1232423-55-0

Molecular Formula:

C16H20BrN3O4

Molecular Weight:

398.2517

MDL Number:

MFCD26393897

IUPAC Name:

tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

InChI:

InChI=1S/C16H20BrN3O4/c1-8-10-12(18-9-11(17)19-10)20(13(21)23-15(2,3)4)14(22)24-16(5,6)7/h1,9H,2-7H3

InChI Key:

PLHJZPJJSJPZJV-UHFFFAOYSA-N

SMILES:

C#Cc1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.257g/mol

Monoisotopic Mass:

397.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3