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Home > Other Heterocycles > 918954-57-1
918954-57-1 | 6-Oxa-3-azabicyclo[3.1.0]hexane, 3-[(4-methylphenyl)sulfonyl]-1-phenyl-
CAS No: 918954-57-1 Catalog No: AG006A3B MDL No:
Product Description
Catalog Number:
AG006A3B
Chemical Name:
6-Oxa-3-azabicyclo[3.1.0]hexane, 3-[(4-methylphenyl)sulfonyl]-1-phenyl-
CAS Number:
918954-57-1
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
3-(4-methylphenyl)sulfonyl-1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C17H17NO3S/c1-13-7-9-15(10-8-13)22(19,20)18-11-16-17(12-18,21-16)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChI Key:
WXOZZVRFKGQQBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2C(C1)(O2)c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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