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1261117-66-1 | Carbamic acid, N-[2-[3-bromo-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8H)-yl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 1261117-66-1 Catalog No: AG000RN1 MDL No:
Product Description
Catalog Number:
AG000RN1
Chemical Name:
Carbamic acid, N-[2-[3-bromo-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8H)-yl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
1261117-66-1
Molecular Formula:
C21H26BrFN4O3
Molecular Weight:
481.3585
IUPAC Name:
tert-butyl N-[2-[3-bromo-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]carbamate
InChI:
InChI=1S/C21H26BrFN4O3/c1-20(2,3)30-19(29)24-12-15(28)27-11-10-26-17(22)16(25-18(26)21(27,4)5)13-6-8-14(23)9-7-13/h6-9H,10-12H2,1-5H3,(H,24,29)
InChI Key:
PGGHXAJROUEBSD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)N1CCn2c(C1(C)C)nc(c2Br)c1ccc(cc1)F
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.117g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
481.366g/mol
Monoisotopic Mass:
480.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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