N-[3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]benzamide

N-[3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]benzamide

Formula: C22H18BrN3O3S

SMILES: COC1=CC=C(Br)C=C1C(=O)NC(=S)NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1

IUPAC: N-[3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)phenyl]benzamide

InChI: InChI=1S/C22H18BrN3O3S/c1-29-19-11-10-15(23)12-18(19)21(28)26-22(30)25-17-9-5-8-16(13-17)24-20(27)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,27)(H2,25,26,28,30)

Composition: C (54.55%), H (3.75%), Br (16.50%), N (8.68%), O (9.91%), S (6.62%)

Molar Mass: 484.37

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	483.025226
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	RDAPRZPMGGUNSQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.44
Topological Polar Surface Area	79.46
Polarizability	47.01
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18BrN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00