1-benzoyl-3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea

1-benzoyl-3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea

Formula: C21H14ClN3O2S

SMILES: ClC1=CC=C(C=C1)C1=NC2=CC(NC(=S)NC(=O)C3=CC=CC=C3)=CC=C2O1

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

InChI: InChI=1S/C21H14ClN3O2S/c22-15-8-6-14(7-9-15)20-24-17-12-16(10-11-18(17)27-20)23-21(28)25-19(26)13-4-2-1-3-5-13/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	DENCGRHCCZTSNF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.4
Topological Polar Surface Area	67.16
Polarizability	44.81
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