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Home > Indoles and Oxindole > 145673-86-5
145673-86-5 | 2-benzyl-5,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
CAS No: 145673-86-5 Catalog No: AG00ITPE MDL No:MFCD00617098
Product Description
Catalog Number:
AG00ITPE
Chemical Name:
2-benzyl-5,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
CAS Number:
145673-86-5
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
MDL Number:
MFCD00617098
IUPAC Name:
2-benzyl-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C17H19NO2/c1-11-8-14-15(9-12(11)2)17(20)18(16(14)19)10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3
InChI Key:
LWHPATCRRWDZNZ-UHFFFAOYSA-N
SMILES:
O=C1C2CC(=C(CC2C(=O)N1Cc1ccccc1)C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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