1-(3-bromobenzoyl)-3-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiourea

1-(3-bromobenzoyl)-3-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiourea

Formula: C24H20BrN3O2S

SMILES: CCC1=CC=C2OC(=NC2=C1)C1=CC=C(C)C(NC(=S)NC(=O)C2=CC=CC(Br)=C2)=C1

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

InChI: InChI=1S/C24H20BrN3O2S/c1-3-15-8-10-21-20(11-15)26-23(30-21)17-9-7-14(2)19(13-17)27-24(31)28-22(29)16-5-4-6-18(25)12-16/h4-13H,3H2,1-2H3,(H2,27,28,29,31)

Composition: C (58.31%), H (4.08%), Br (16.16%), N (8.50%), O (6.47%), S (6.48%)

Molar Mass: 494.41

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	493.045961
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KONQOXWVWSJBNT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.9
Topological Polar Surface Area	67.16
Polarizability	50.96
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H20BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00