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17879-99-1 | Aziridine, 1-[(4-methylphenyl)sulfonyl]-2,3-diphenyl-, (2R,3R)-rel-
CAS No: 17879-99-1 Catalog No: AG0026BX MDL No:
Product Description
Catalog Number:
AG0026BX
Chemical Name:
Aziridine, 1-[(4-methylphenyl)sulfonyl]-2,3-diphenyl-, (2R,3R)-rel-
CAS Number:
17879-99-1
Molecular Formula:
C21H19NO2S
Molecular Weight:
349.4461
IUPAC Name:
(2S,3S)-1-(4-methylphenyl)sulfonyl-2,3-diphenylaziridine
InChI:
InChI=1S/C21H19NO2S/c1-16-12-14-19(15-13-16)25(23,24)22-20(17-8-4-2-5-9-17)21(22)18-10-6-3-7-11-18/h2-15,20-21H,1H3/t20-,21-/m0/s1
InChI Key:
GAZMCGHPHRQBPT-SFTDATJTSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]([C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
349.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.448g/mol
Monoisotopic Mass:
349.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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