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Home > Indoles and Oxindole > 37799-00-1
37799-00-1 | 4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(phenylmethyl)-
CAS No: 37799-00-1 Catalog No: AG00I7G2 MDL No:MFCD00433589
Product Description
Catalog Number:
AG00I7G2
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-(phenylmethyl)-
CAS Number:
37799-00-1
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD00433589
IUPAC Name:
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C16H15NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2
InChI Key:
QKZKKFXTPSCYQI-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C(=O)N1Cc1ccccc1)C3
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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