Name: Name:tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate
Brand: Angene
SKU: AG01C7DU
Rating: 90 (10 reviews)

tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate

CAS No.:

1152440-02-2

Catalog Number:

AG01C7DU

Molecular Formula:

C12H15BrF3N3O2

Molecular Weight:

370.1656

Catalog Number:

AG01C7DU

Chemical Name:

tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate

CAS Number:

1152440-02-2

Molecular Formula:

C12H15BrF3N3O2

Molecular Weight:

370.1656

MDL Number:

MFCD24848028

IUPAC Name:

tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

InChI:

InChI=1S/C12H15BrF3N3O2/c1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(13)17-9(19)12(14,15)16/h4-6H2,1-3H3

InChI Key:

SVHZDIVYRFEIBI-UHFFFAOYSA-N

SMILES:

O=C(N1CCn2c(C1)c(Br)nc2C(F)(F)F)OC(C)(C)C

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

369.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

370.17g/mol

Monoisotopic Mass:

369.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4