3-hexanoyl-1-(2-phenyl-1,3-benzoxazol-5-yl)thiourea

3-hexanoyl-1-(2-phenyl-1,3-benzoxazol-5-yl)thiourea

Formula: C20H21N3O2S

SMILES: CCCCCC(=O)NC(=S)NC1=CC=C2OC(=NC2=C1)C1=CC=CC=C1

IUPAC: 3-hexanoyl-1-(2-phenyl-1,3-benzoxazol-5-yl)thiourea

InChI: InChI=1S/C20H21N3O2S/c1-2-3-5-10-18(24)23-20(26)21-15-11-12-17-16(13-15)22-19(25-17)14-8-6-4-7-9-14/h4,6-9,11-13H,2-3,5,10H2,1H3,(H2,21,23,24,26)

Composition: C (65.37%), H (5.76%), N (11.44%), O (8.71%), S (8.72%)

Molar Mass: 367.47

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	367.135448102
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BBFKFJXZFCNZHK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.35
Topological Polar Surface Area	67.16
Polarizability	42.81
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00