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663930-72-1 | 2H-1-Benzopyran-2-one, 3-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS No: 663930-72-1 Catalog No: AG006MA4 MDL No:
Product Description
Catalog Number:
AG006MA4
Chemical Name:
2H-1-Benzopyran-2-one, 3-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS Number:
663930-72-1
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
3-(3,3-dimethyl-4H-isoquinolin-1-yl)chromen-2-one
InChI:
InChI=1S/C20H17NO2/c1-20(2)12-14-8-3-5-9-15(14)18(21-20)16-11-13-7-4-6-10-17(13)23-19(16)22/h3-11H,12H2,1-2H3
InChI Key:
OIMSGYTYUKJLEZ-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1C1=NC(C)(C)Cc2c1cccc2
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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