methyl 5-(2-{[(4-bromophenyl)methyl]sulfanyl}acetamido)-2-chlorobenzoate

methyl 5-(2-{[(4-bromophenyl)methyl]sulfanyl}acetamido)-2-chlorobenzoate

Formula: C17H15BrClNO3S

SMILES: COC(=O)C1=CC(NC(=O)CSCC2=CC=C(Br)C=C2)=CC=C1Cl

IUPAC: methyl 5-(2-{[(4-bromophenyl)methyl]sulfanyl}acetamido)-2-chlorobenzoate

InChI: InChI=1S/C17H15BrClNO3S/c1-23-17(22)14-8-13(6-7-15(14)19)20-16(21)10-24-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,20,21)

Composition: C (47.63%), H (3.53%), Br (18.64%), Cl (8.27%), N (3.27%), O (11.20%), S (7.48%)

Molar Mass: 428.73

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	426.964455
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DKKHMUOVRNDMHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.52
Topological Polar Surface Area	55.4
Polarizability	38.85
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15BrClNO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00