N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide

N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide

Formula: C23H14BrClN2O3S

SMILES: COC1=CC=C(C=C1Br)C1=NC2=CC(NC(=O)C3=C(Cl)C4=CC=CC=C4S3)=CC=C2O1

IUPAC: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide

InChI: InChI=1S/C23H14BrClN2O3S/c1-29-17-8-6-12(10-15(17)24)23-27-16-11-13(7-9-18(16)30-23)26-22(28)21-20(25)14-4-2-3-5-19(14)31-21/h2-11H,1H3,(H,26,28)

Composition: C (53.77%), H (2.75%), Br (15.55%), Cl (6.90%), N (5.45%), O (9.34%), S (6.24%)

Molar Mass: 513.79

Atom Count: 45

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	511.959704
Formal Charge	0
FSP3	0.04
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RSXHNWDNMBHWBW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.37
Topological Polar Surface Area	64.36
Polarizability	50.02
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H14BrClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00