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187324-64-7 | N-Benzyl-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CAS No: 187324-64-7 Catalog No: AG003BID MDL No:MFCD02093447
Product Description
Catalog Number:
AG003BID
Chemical Name:
N-Benzyl-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CAS Number:
187324-64-7
Molecular Formula:
C25H29NO3S
Molecular Weight:
423.5677
MDL Number:
MFCD02093447
IUPAC Name:
N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChI:
InChI=1S/C25H29NO3S/c1-18-15-19(2)25(20(3)16-18)30(28,29)26(17-22-11-7-5-8-12-22)21(4)24(27)23-13-9-6-10-14-23/h5-16,21,24,27H,17H2,1-4H3/t21-,24-/m1/s1
InChI Key:
ZPERKXJNXPLVAC-ZJSXRUAMSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)N([C@@H]([C@H](c1ccccc1)O)C)Cc1ccccc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
423.187g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.571g/mol
Monoisotopic Mass:
423.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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