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4430-77-7 | 6,7-Dihydro-pyrido[2,3-d]pyridazine-5,8-dione
CAS No: 4430-77-7 Catalog No: AG003N13 MDL No:MFCD06251613
Product Description
Catalog Number:
AG003N13
Chemical Name:
6,7-Dihydro-pyrido[2,3-d]pyridazine-5,8-dione
CAS Number:
4430-77-7
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD06251613
IUPAC Name:
6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione
InChI:
InChI=1S/C7H5N3O2/c11-6-4-2-1-3-8-5(4)7(12)10-9-6/h1-3H,(H,9,11)(H,10,12)
InChI Key:
DKOROYSYZIOJRG-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)c2c1nccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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