1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-butoxybenzoyl)thiourea

1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-butoxybenzoyl)thiourea

Formula: C26H25N3O3S

SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC(=CC=C1C)C1=NC2=CC=CC=C2O1

IUPAC: 1-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-butoxybenzoyl)thiourea

InChI: InChI=1S/C26H25N3O3S/c1-3-4-15-31-20-13-11-18(12-14-20)24(30)29-26(33)28-22-16-19(10-9-17(22)2)25-27-21-7-5-6-8-23(21)32-25/h5-14,16H,3-4,15H2,1-2H3,(H2,28,29,30,33)

Composition: C (67.95%), H (5.48%), N (9.14%), O (10.44%), S (6.98%)

Molar Mass: 459.56

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	459.161662851
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QTPJUPLQXJXQCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.97
Topological Polar Surface Area	76.39
Polarizability	52.78
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H25N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00