Name: Name:ethyl9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate
Brand: Angene
SKU: AG01DDW9
Rating: 90 (10 reviews)

ethyl9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate

CAS No.:

82419-34-9

Catalog Number:

AG01DDW9

Molecular Formula:

C15H13F2NO4

Molecular Weight:

309.2648

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Product Description

Catalog Number:

AG01DDW9

Chemical Name:

ethyl9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate

CAS Number:

82419-34-9

Molecular Formula:

C15H13F2NO4

Molecular Weight:

309.2648

MDL Number:

MFCD00498285

IUPAC Name:

ethyl 6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate

InChI:

InChI=1S/C15H13F2NO4/c1-3-21-15(20)9-5-18-7(2)6-22-14-11(17)10(16)4-8(12(14)18)13(9)19/h4-5,7H,3,6H2,1-2H3

InChI Key:

TZSXJUSNOOBBOP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3F)F

Properties

Complexity:

524

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.081g/mol

Formal Charge:

Heavy Atom Count:

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Molecular Weight:

309.269g/mol

Monoisotopic Mass:

309.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties