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Home > Imidazoles > 2044708-05-4
2044708-05-4 | 1-(1-Boc-4-piperidyl)-3-[2-(1-trityl-4-imidazolyl)phenyl]-2-propen-1-one
CAS No: 2044708-05-4 Catalog No: AG01DESO MDL No:MFCD30479670
Product Description
Catalog Number:
AG01DESO
Chemical Name:
1-(1-Boc-4-piperidyl)-3-[2-(1-trityl-4-imidazolyl)phenyl]-2-propen-1-one
CAS Number:
2044708-05-4
MDL Number:
MFCD30479670
IUPAC Name:
tert-butyl 4-[(Z)-3-[2-(1-tritylimidazol-4-yl)phenyl]prop-2-enoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C41H41N3O3/c1-40(2,3)47-39(46)43-27-25-32(26-28-43)38(45)24-23-31-15-13-14-22-36(31)37-29-44(30-42-37)41(33-16-7-4-8-17-33,34-18-9-5-10-19-34)35-20-11-6-12-21-35/h4-24,29-30,32H,25-28H2,1-3H3/b24-23-
InChI Key:
QCANIPSWTNCRNV-VHXPQNKSSA-N
Properties
Complexity:
995
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
623.315g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
623.797g/mol
Monoisotopic Mass:
623.315g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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