3-[5-(2-chlorophenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)urea

3-[5-(2-chlorophenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)urea

Formula: C16H12Cl2N4O2S

SMILES: ClC1=CC=C(NC(=O)NC2=NN=C(COC3=CC=CC=C3Cl)S2)C=C1

IUPAC: 3-{5-[(2-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

InChI: InChI=1S/C16H12Cl2N4O2S/c17-10-5-7-11(8-6-10)19-15(23)20-16-22-21-14(25-16)9-24-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23)

Composition: C (48.62%), H (3.06%), Cl (17.94%), N (14.18%), O (8.10%), S (8.11%)

Molar Mass: 395.26

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.0058022
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XTQNVSUXZQNLLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.87
Topological Polar Surface Area	76.14
Polarizability	37.01
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12Cl2N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00