Name: Name:9-bromo-5-(methylthio)-2-(p-tolyl)-[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one
Brand: Angene
SKU: AG01DG7U
Rating: 90 (10 reviews)

9-bromo-5-(methylthio)-2-(p-tolyl)-[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one

CAS No.:

1189797-84-9

Catalog Number:

AG01DG7U

Molecular Formula:

C17H13BrN4OS

Molecular Weight:

401.2803

Catalog Number:

AG01DG7U

Chemical Name:

9-bromo-5-(methylthio)-2-(p-tolyl)-[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one

CAS Number:

1189797-84-9

Molecular Formula:

C17H13BrN4OS

Molecular Weight:

401.2803

IUPAC Name:

9-bromo-2-(4-methylphenyl)-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]quinazolin-3-one

InChI:

InChI=1S/C17H13BrN4OS/c1-10-3-6-12(7-4-10)22-17(23)21-15(20-22)13-9-11(18)5-8-14(13)19-16(21)24-2/h3-9H,1-2H3

InChI Key:

NSXHXRNSDOCHQM-UHFFFAOYSA-N

SMILES:

CSc1nc2ccc(cc2c2n1c(=O)n(n2)c1ccc(cc1)C)Br

Complexity:

587

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

401.282g/mol

Monoisotopic Mass:

399.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3