3-(3-chloro-4-ethoxybenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

3-(3-chloro-4-ethoxybenzoyl)-1-(3-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)thiourea

Formula: C22H17ClN4O3S

SMILES: CCOC1=CC=C(C=C1Cl)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=NC=CC=C2O1

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

InChI: InChI=1S/C22H17ClN4O3S/c1-2-29-17-9-8-13(12-16(17)23)20(28)27-22(31)25-15-6-3-5-14(11-15)21-26-19-18(30-21)7-4-10-24-19/h3-12H,2H2,1H3,(H2,25,27,28,31)

Composition: C (58.34%), H (3.78%), Cl (7.83%), N (12.37%), O (10.60%), S (7.08%)

Molar Mass: 452.91

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	452.0709893
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SLUBUKXAODRJPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.02
Topological Polar Surface Area	89.28
Polarizability	47.63
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17ClN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00