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29415-71-2 | 1(2H)-Phthalazinone, 7-(diethylamino)-4-hydroxy-
CAS No: 29415-71-2 Catalog No: AG002YAG MDL No:
Product Description
Catalog Number:
AG002YAG
Chemical Name:
1(2H)-Phthalazinone, 7-(diethylamino)-4-hydroxy-
CAS Number:
29415-71-2
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
6-(diethylamino)-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C12H15N3O2/c1-3-15(4-2)8-5-6-9-10(7-8)12(17)14-13-11(9)16/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,17)
InChI Key:
WNYLSNZNCJLARI-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)c(=O)[nH]nc2O)CC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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