Name: Name:1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-
Brand: Angene
SKU: AG007CZA
Rating: 90 (10 reviews)

1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-

CAS No.:

16015-49-9

Catalog Number:

AG007CZA

Molecular Formula:

C16H12N2O3

Molecular Weight:

280.2781

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Product Description

Catalog Number:

AG007CZA

Chemical Name:

1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-

CAS Number:

16015-49-9

Molecular Formula:

C16H12N2O3

Molecular Weight:

280.2781

MDL Number:

MFCD03655875

IUPAC Name:

3-benzyl-4-oxophthalazine-1-carboxylic acid

InChI:

InChI=1S/C16H12N2O3/c19-15-13-9-5-4-8-12(13)14(16(20)21)17-18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)

InChI Key:

ZXWKUKKFDVBJOQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(Cc2ccccc2)c(=O)c2c1cccc2

Properties

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.283g/mol

Monoisotopic Mass:

280.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

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