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55580-65-9 | 6,7-DIMETHOXY-1-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 55580-65-9 Catalog No: AG01APJB MDL No:MFCD00409941
Product Description
Catalog Number:
AG01APJB
Chemical Name:
6,7-DIMETHOXY-1-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
55580-65-9
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
MDL Number:
MFCD00409941
IUPAC Name:
6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C18H21NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-7,10-11,18-19H,8-9H2,1-3H3
InChI Key:
HMKDPQCXNBOIEW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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