N-[5-(4-bromophenyl)-7-(4-methylphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

N-[5-(4-bromophenyl)-7-(4-methylphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

Formula: C19H18BrN5O2S

SMILES: CC1=CC=C(C=C1)C1CC(=NC2=NC(NS(C)(=O)=O)=NN12)C1=CC=C(Br)C=C1

IUPAC: N-[5-(4-bromophenyl)-7-(4-methylphenyl)-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

InChI: InChI=1/C19H18BrN5O2S/c1-12-3-5-14(6-4-12)17-11-16(13-7-9-15(20)10-8-13)21-19-22-18(23-25(17)19)24-28(2,26)27/h3-10,17H,11H2,1-2H3,(H,23,24)

Composition: C (49.57%), H (3.94%), Br (17.36%), N (15.21%), O (6.95%), S (6.96%)

Molar Mass: 460.35

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	459.036459
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LOKDHIUFAVRXLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.47
Topological Polar Surface Area	89.24
Polarizability	42.6
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18BrN5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00