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Home > Other Heterocycles > 292607-22-8
292607-22-8 | 3-Azabicyclo[4.1.0]hept-4-ene, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-
CAS No: 292607-22-8 Catalog No: AG002XVP MDL No:
Product Description
Catalog Number:
AG002XVP
Chemical Name:
3-Azabicyclo[4.1.0]hept-4-ene, 3-[(4-methylphenyl)sulfonyl]-6-phenyl-
CAS Number:
292607-22-8
Molecular Formula:
C19H19NO2S
Molecular Weight:
325.4247
IUPAC Name:
3-(4-methylphenyl)sulfonyl-6-phenyl-3-azabicyclo[4.1.0]hept-4-ene
InChI:
InChI=1S/C19H19NO2S/c1-15-7-9-18(10-8-15)23(21,22)20-12-11-19(13-17(19)14-20)16-5-3-2-4-6-16/h2-12,17H,13-14H2,1H3
InChI Key:
CYXDTMITUMDHTD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C=CC2(C(C1)C2)c1ccccc1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.426g/mol
Monoisotopic Mass:
325.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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