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240423-53-4 | (1S,2R)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl acetate
CAS No: 240423-53-4 Catalog No: AG003BIE MDL No:MFCD02093425
Product Description
Catalog Number:
AG003BIE
Chemical Name:
(1S,2R)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl acetate
CAS Number:
240423-53-4
Molecular Formula:
C27H31NO4S
Molecular Weight:
465.6043
MDL Number:
MFCD02093425
IUPAC Name:
[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] acetate
InChI:
InChI=1S/C27H31NO4S/c1-19-16-20(2)27(21(3)17-19)33(30,31)28(18-24-12-8-6-9-13-24)22(4)26(32-23(5)29)25-14-10-7-11-15-25/h6-17,22,26H,18H2,1-5H3/t22-,26-/m1/s1
InChI Key:
MCELVTKIIIBSDU-ATIYNZHBSA-N
SMILES:
CC(=O)O[C@H]([C@H](N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccccc1)C)c1ccccc1
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
465.197g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.608g/mol
Monoisotopic Mass:
465.197g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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