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1227270-37-2 | 1H-Indazole-1-carboxylic acid, 6-bromo-3-[1-[(1,1-dimethylethoxy)carbonyl]-7-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 1,1-dimethylethyl ester
CAS No: 1227270-37-2 Catalog No: AG000J6O MDL No:
Product Description
Catalog Number:
AG000J6O
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-bromo-3-[1-[(1,1-dimethylethoxy)carbonyl]-7-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 1,1-dimethylethyl ester
CAS Number:
1227270-37-2
Molecular Formula:
C29H35BrN6O4
Molecular Weight:
611.5300
IUPAC Name:
tert-butyl 2-[6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]-7-(4-methylpiperazin-1-yl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C29H35BrN6O4/c1-28(2,3)39-26(37)35-24-20(9-8-10-21(24)34-15-13-33(7)14-16-34)31-25(35)23-19-12-11-18(30)17-22(19)36(32-23)27(38)40-29(4,5)6/h8-12,17H,13-16H2,1-7H3
InChI Key:
UHMSFHHLGTWGRB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc2c1n(C(=O)OC(C)(C)C)c(n2)c1nn(c2c1ccc(c2)Br)C(=O)OC(C)(C)C
Properties
Complexity:
933
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.19g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
611.541g/mol
Monoisotopic Mass:
610.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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