Name: Name:Isoxazolo[5,4-c][2,7]naphthyridine-7(5H)-carboxylic acid, 4,6,8,9-tetrahydro-1-methyl-5-oxo-, phenylmethyl ester
Brand: Angene
SKU: AG000N5V
Rating: 90 (10 reviews)

Isoxazolo[5,4-c][2,7]naphthyridine-7(5H)-carboxylic acid, 4,6,8,9-tetrahydro-1-methyl-5-oxo-, phenylmethyl ester

CAS No.:

1251002-91-1

Catalog Number:

AG000N5V

Molecular Formula:

C18H17N3O4

Molecular Weight:

339.3453

Catalog Number:

AG000N5V

Chemical Name:

Isoxazolo[5,4-c][2,7]naphthyridine-7(5H)-carboxylic acid, 4,6,8,9-tetrahydro-1-methyl-5-oxo-, phenylmethyl ester

CAS Number:

1251002-91-1

Molecular Formula:

C18H17N3O4

Molecular Weight:

339.3453

MDL Number:

MFCD18632605

IUPAC Name:

benzyl 1-methyl-5-oxo-4,6,8,9-tetrahydro-[1,2]oxazolo[4,5-f][2,7]naphthyridine-7-carboxylate

InChI:

InChI=1S/C18H17N3O4/c1-11-15-13-7-8-21(9-14(13)16(22)19-17(15)25-20-11)18(23)24-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,19,22)

InChI Key:

YSINUKDZSVHKAR-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(=O)[nH]c1c2c(C)no1)OCc1ccccc1

Complexity:

585

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.351g/mol

Monoisotopic Mass:

339.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3