3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

Formula: C22H17BrN4O3S

SMILES: COC1=CC=C(Br)C=C1C(=O)NC(=S)NC1=CC(=CC=C1C)C1=NC2=NC=CC=C2O1

IUPAC: 3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

InChI: InChI=1S/C22H17BrN4O3S/c1-12-5-6-13(21-26-19-18(30-21)4-3-9-24-19)10-16(12)25-22(31)27-20(28)15-11-14(23)7-8-17(15)29-2/h3-11H,1-2H3,(H2,25,27,28,31)

Composition: C (53.13%), H (3.45%), Br (16.07%), N (11.26%), O (9.65%), S (6.45%)

Molar Mass: 497.37

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	496.020475
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PEIODJBNNCWRKP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.13
Topological Polar Surface Area	89.28
Polarizability	48.38
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17BrN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00