2-bromo-4-[5-({[(2-chlorophenyl)formamido]methanethioyl}amino)-1,3-benzoxazol-2-yl]phenyl 2-chlorobenzoate

2-bromo-4-[5-({[(2-chlorophenyl)formamido]methanethioyl}amino)-1,3-benzoxazol-2-yl]phenyl 2-chlorobenzoate

Formula: C28H16BrCl2N3O4S

SMILES: ClC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C2OC(=NC2=C1)C1=CC=C(OC(=O)C2=CC=CC=C2Cl)C(Br)=C1

IUPAC: 2-bromo-4-[5-({[(2-chlorophenyl)formamido]methanethioyl}amino)-1,3-benzoxazol-2-yl]phenyl 2-chlorobenzoate

InChI: InChI=1S/C28H16BrCl2N3O4S/c29-19-13-15(9-11-23(19)38-27(36)18-6-2-4-8-21(18)31)26-33-22-14-16(10-12-24(22)37-26)32-28(39)34-25(35)17-5-1-3-7-20(17)30/h1-14H,(H2,32,34,35,39)

Composition: C (52.44%), H (2.51%), Br (12.46%), Cl (11.06%), N (6.55%), O (9.98%), S (5.00%)

Molar Mass: 641.32

Atom Count: 55

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	638.942196
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	INKDSHQDUSDMID-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	168.63
Topological Polar Surface Area	93.46
Polarizability	61.6
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H16BrCl2N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00