1-benzoyl-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea

1-benzoyl-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea

Formula: C22H16ClN3O3S

SMILES: COC1=CC=C(C=C1Cl)C1=NC2=CC(NC(=S)NC(=O)C3=CC=CC=C3)=CC=C2O1

IUPAC: 1-benzoyl-3-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiourea

InChI: InChI=1S/C22H16ClN3O3S/c1-28-18-9-7-14(11-16(18)23)21-25-17-12-15(8-10-19(17)29-21)24-22(30)26-20(27)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,26,27,30)

Composition: C (60.34%), H (3.68%), Cl (8.10%), N (9.60%), O (10.96%), S (7.32%)

Molar Mass: 437.9

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	437.0600903
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OWMOOGWCMYBEOI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.86
Topological Polar Surface Area	76.39
Polarizability	47.34
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00