1-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrobenzoyl)thiourea

1-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrobenzoyl)thiourea

Formula: C21H12Cl2N4O4S

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=CC(Cl)=CC(Cl)=C2O1

IUPAC: 1-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-(4-nitrobenzoyl)thiourea

InChI: InChI=1S/C21H12Cl2N4O4S/c22-13-9-16(23)18-17(10-13)25-20(31-18)12-2-1-3-14(8-12)24-21(32)26-19(28)11-4-6-15(7-5-11)27(29)30/h1-10H,(H2,24,26,28,32)

Composition: C (51.76%), H (2.48%), Cl (14.55%), N (11.50%), O (13.13%), S (6.58%)

Molar Mass: 487.31

Atom Count: 44

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	485.9956315
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PNELLSSBLWAVLX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.52
Topological Polar Surface Area	110.3
Polarizability	48.6
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H12Cl2N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00