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145743-47-1 | 3-Pyrazolidinone, 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-
CAS No: 145743-47-1 Catalog No: AG001DCY MDL No:MFCD00831775
Product Description
Catalog Number:
AG001DCY
Chemical Name:
3-Pyrazolidinone, 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-
CAS Number:
145743-47-1
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
MDL Number:
MFCD00831775
IUPAC Name:
5-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolidin-3-one
InChI:
InChI=1S/C15H20N2O3/c1-19-13-7-6-10(12-9-15(18)17-16-12)8-14(13)20-11-4-2-3-5-11/h6-8,11-12,16H,2-5,9H2,1H3,(H,17,18)
InChI Key:
WZROEATXAXBHDC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)C1NNC(=O)C1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
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 |
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