Name: Name:sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
Brand: Angene
SKU: AG019I50
Rating: 90 (10 reviews)

sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide

CAS No.:

1007191-88-9

Catalog Number:

AG019I50

Molecular Formula:

C17H15N2NaO2S

Molecular Weight:

334.3680

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Product Description

Catalog Number:

AG019I50

Chemical Name:

sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide

CAS Number:

1007191-88-9

Molecular Formula:

C17H15N2NaO2S

Molecular Weight:

334.3680

MDL Number:

MFCD07308451

IUPAC Name:

sodium;3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazoline-2-thiolate

InChI:

InChI=1S/C17H16N2O2S.Na/c1-21-13-8-6-12(7-9-13)10-11-19-16(20)14-4-2-3-5-15(14)18-17(19)22;/h2-9H,10-11H2,1H3,(H,18,22);/q;+1/p-1

InChI Key:

GRYUFENTQSZCNM-UHFFFAOYSA-M

SMILES:

COc1ccc(cc1)CCn1c([S-])nc2c(c1=O)cccc2.[Na+]

Properties

Complexity:

438

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.369g/mol

Monoisotopic Mass:

334.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501