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Home > Indoles and Oxindole > 616214-78-9
616214-78-9 | 1-[(2,3-dihydro-1H-indole-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CAS No: 616214-78-9 Catalog No: AG00IVAC MDL No:MFCD07777033
Product Description
Catalog Number:
AG00IVAC
Chemical Name:
1-[(2,3-dihydro-1H-indole-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CAS Number:
616214-78-9
Molecular Formula:
C18H23NO3S
Molecular Weight:
333.4451
MDL Number:
MFCD07777033
IUPAC Name:
1-(2,3-dihydroindol-1-ylsulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C18H23NO3S/c1-17(2)14-7-9-18(17,16(20)11-14)12-23(21,22)19-10-8-13-5-3-4-6-15(13)19/h3-6,14H,7-12H2,1-2H3
InChI Key:
LOXVKOCAVQTELE-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1(CC2)CS(=O)(=O)N1CCc2c1cccc2)(C)C
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.446g/mol
Monoisotopic Mass:
333.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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