1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-fluorobenzoyl)thiourea

1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-fluorobenzoyl)thiourea

Formula: C23H18FN3O2S

SMILES: CC1=CC(C)=C2OC(=NC2=C1)C1=CC(NC(=S)NC(=O)C2=CC=C(F)C=C2)=CC=C1

IUPAC: 1-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(4-fluorobenzoyl)thiourea

InChI: InChI=1S/C23H18FN3O2S/c1-13-10-14(2)20-19(11-13)26-22(29-20)16-4-3-5-18(12-16)25-23(30)27-21(28)15-6-8-17(24)9-7-15/h3-12H,1-2H3,(H2,25,27,28,30)

Composition: C (65.86%), H (4.33%), F (4.53%), N (10.02%), O (7.63%), S (7.64%)

Molar Mass: 419.47

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	419.110376169
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZZCFPWRIVXHKRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.89
Topological Polar Surface Area	67.16
Polarizability	46.12
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18FN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00