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825601-53-4 | Azetidine, 2-butyl-3-ethyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)-
CAS No: 825601-53-4 Catalog No: AG005EY3 MDL No:
Product Description
Catalog Number:
AG005EY3
Chemical Name:
Azetidine, 2-butyl-3-ethyl-1-[(4-methylphenyl)sulfonyl]-, (2R,3S)-
CAS Number:
825601-53-4
Molecular Formula:
C16H25NO2S
Molecular Weight:
295.4402
IUPAC Name:
(2R,3S)-2-butyl-3-ethyl-1-(4-methylphenyl)sulfonylazetidine
InChI:
InChI=1S/C16H25NO2S/c1-4-6-7-16-14(5-2)12-17(16)20(18,19)15-10-8-13(3)9-11-15/h8-11,14,16H,4-7,12H2,1-3H3/t14-,16+/m0/s1
InChI Key:
JAEDHYJDXPIIKQ-GOEBONIOSA-N
SMILES:
CCCC[C@@H]1[C@@H](CC)CN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
295.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.441g/mol
Monoisotopic Mass:
295.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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