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176692-55-0 | [1,2,3]Triazolo[1,5-a]quinazoline-3-carboxylic acid, 4,5-dihydro-4-methyl-5-oxo-, ethyl ester
CAS No: 176692-55-0 Catalog No: AG0024TF MDL No:MFCD03407223
Product Description
Catalog Number:
AG0024TF
Chemical Name:
[1,2,3]Triazolo[1,5-a]quinazoline-3-carboxylic acid, 4,5-dihydro-4-methyl-5-oxo-, ethyl ester
CAS Number:
176692-55-0
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
MDL Number:
MFCD03407223
IUPAC Name:
ethyl 4-methyl-5-oxotriazolo[1,5-a]quinazoline-3-carboxylate
InChI:
InChI=1S/C13H12N4O3/c1-3-20-13(19)10-11-16(2)12(18)8-6-4-5-7-9(8)17(11)15-14-10/h4-7H,3H2,1-2H3
InChI Key:
KWIXXZHCRSDFBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnn2c1n(C)c(=O)c1c2cccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^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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