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Home > Indoles and Oxindole > 68375-17-7
68375-17-7 | 2-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS No: 68375-17-7 Catalog No: AG00JHBL MDL No:MFCD03819341
Product Description
Catalog Number:
AG00JHBL
Chemical Name:
2-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
68375-17-7
Molecular Formula:
C21H18N2O2
Molecular Weight:
330.3798
MDL Number:
MFCD03819341
IUPAC Name:
2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C21H18N2O2/c24-20-15-6-1-2-7-16(15)21(25)23(20)12-13-9-10-19-17(11-13)14-5-3-4-8-18(14)22-19/h1-2,6-7,9-11,22H,3-5,8,12H2
InChI Key:
PCBFCGKPOYZRHU-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc3c(c2)c2CCCCc2[nH]3)C(=O)c2c1cccc2
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.387g/mol
Monoisotopic Mass:
330.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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