3-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-1-(4-methylbenzoyl)thiourea

3-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-1-(4-methylbenzoyl)thiourea

Formula: C22H16BrN3O2S

SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C2OC(=NC2=C1)C1=CC=C(Br)C=C1

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

InChI: InChI=1S/C22H16BrN3O2S/c1-13-2-4-14(5-3-13)20(27)26-22(29)24-17-10-11-19-18(12-17)25-21(28-19)15-6-8-16(23)9-7-15/h2-12H,1H3,(H2,24,26,27,29)

Composition: C (56.66%), H (3.46%), Br (17.13%), N (9.01%), O (6.86%), S (6.87%)

Molar Mass: 466.35

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	465.014661
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MLXUUIFETJKSKN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.26
Topological Polar Surface Area	67.16
Polarizability	47.36
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00