Name: Name:4-(2,5-dimethylphenyl)-1,2-dihydrophthalazin-1-one
Brand: Angene
SKU: AG019I2I
Rating: 90 (10 reviews)

4-(2,5-dimethylphenyl)-1,2-dihydrophthalazin-1-one

CAS No.:

93517-76-1

Catalog Number:

AG019I2I

Molecular Formula:

C16H14N2O

Molecular Weight:

250.2952

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Product Description

Catalog Number:

AG019I2I

Chemical Name:

4-(2,5-dimethylphenyl)-1,2-dihydrophthalazin-1-one

CAS Number:

93517-76-1

Molecular Formula:

C16H14N2O

Molecular Weight:

250.2952

MDL Number:

MFCD01104372

IUPAC Name:

4-(2,5-dimethylphenyl)-2H-phthalazin-1-one

InChI:

InChI=1S/C16H14N2O/c1-10-7-8-11(2)14(9-10)15-12-5-3-4-6-13(12)16(19)18-17-15/h3-9H,1-2H3,(H,18,19)

InChI Key:

RTZYUCXEOLWBLZ-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)c1n[nH]c(=O)c2c1cccc2)C

Properties

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.301g/mol

Monoisotopic Mass:

250.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

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