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Home > Other Building Blocks > 102616-61-5
102616-61-5 | 1,3-Benzodioxol-5-ol, 6-[(4-methoxyphenyl)-4-morpholinylmethyl]-
CAS No: 102616-61-5 Catalog No: AG0007XQ MDL No:
Product Description
Catalog Number:
AG0007XQ
Chemical Name:
1,3-Benzodioxol-5-ol, 6-[(4-methoxyphenyl)-4-morpholinylmethyl]-
CAS Number:
102616-61-5
Molecular Formula:
C19H21NO5
Molecular Weight:
343.3737
IUPAC Name:
6-[(4-methoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
InChI:
InChI=1S/C19H21NO5/c1-22-14-4-2-13(3-5-14)19(20-6-8-23-9-7-20)15-10-17-18(11-16(15)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3
InChI Key:
KAHGBOHCJFKVGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1cc2OCOc2cc1O)N1CCOCC1
NSC Number:
364724
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.379g/mol
Monoisotopic Mass:
343.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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