N-(2-bromo-4,5-dimethylphenyl)-2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(2-bromo-4,5-dimethylphenyl)-2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C19H19BrN4OS

SMILES: CC1=CC(=CC=C1)C1=NC(SCC(=O)NC2=CC(C)=C(C)C=C2Br)=NN1

IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-{[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C19H19BrN4OS/c1-11-5-4-6-14(7-11)18-22-19(24-23-18)26-10-17(25)21-16-9-13(3)12(2)8-15(16)20/h4-9H,10H2,1-3H3,(H,21,25)(H,22,23,24)

Composition: C (52.91%), H (4.44%), Br (18.52%), N (12.99%), O (3.71%), S (7.43%)

Molar Mass: 431.35

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	430.046295
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YCRSCDWPSHGCCH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.98
Topological Polar Surface Area	70.67
Polarizability	42.08
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19BrN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00