3-benzoyl-1-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiourea

3-benzoyl-1-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiourea

Formula: C21H14ClN3O2S

SMILES: ClC1=CC=C2OC(=NC2=C1)C1=CC(NC(=S)NC(=O)C2=CC=CC=C2)=CC=C1

IUPAC: 3-benzoyl-1-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiourea

InChI: InChI=1S/C21H14ClN3O2S/c22-15-9-10-18-17(12-15)24-20(27-18)14-7-4-8-16(11-14)23-21(28)25-19(26)13-5-2-1-3-6-13/h1-12H,(H2,23,25,26,28)

Composition: C (61.84%), H (3.46%), Cl (8.69%), N (10.30%), O (7.85%), S (7.86%)

Molar Mass: 407.87

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	407.0495256
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VOVVGJQYESXGGY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.4
Topological Polar Surface Area	67.16
Polarizability	44.82
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00