N-(4-bromophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

Formula: C17H13BrN4OS

SMILES: BrC1=CC=C(NC(=O)CSC2=NC=C(N=N2)C2=CC=CC=C2)C=C1

IUPAC: N-(4-bromophenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

InChI: InChI=1S/C17H13BrN4OS/c18-13-6-8-14(9-7-13)20-16(23)11-24-17-19-10-15(21-22-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,23)

Composition: C (50.88%), H (3.27%), Br (19.91%), N (13.96%), O (3.99%), S (7.99%)

Molar Mass: 401.28

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	399.999345
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JIRZTMKYQVEDCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.19
Topological Polar Surface Area	67.77
Polarizability	38.86
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13BrN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00