Home Halogens 5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-

5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-

CAS No.:
1441670-89-8
Catalog Number:
AG001J11
Molecular Formula:
C27H26BrF2N3O2
Molecular Weight:
542.4150
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Product Description
Catalog Number:
AG001J11
Chemical Name:
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-
CAS Number:
1441670-89-8
Molecular Formula:
C27H26BrF2N3O2
Molecular Weight:
542.4150
MDL Number:
MFCD28386931
IUPAC Name:
tert-butyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
InChI:
InChI=1S/C27H26BrF2N3O2/c1-25(2,3)35-24(34)33-14-26(8-9-26)12-22(33)23-31-13-21(32-23)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,13,22H,8-9,12,14H2,1-3H3,(H,31,32)/t22-/m0/s1
InChI Key:
CZEZIZZCMWUQHO-QFIPXVFZSA-N
SMILES:
Brc1ccc2c(c1)C(F)(F)c1c2ccc(c1)c1cnc([nH]1)[C@@H]1CC2(CN1C(=O)OC(C)(C)C)CC2
EC Number:
939-899-8
Properties
Complexity:
847  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
541.118g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
542.425g/mol
Monoisotopic Mass:
541.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties