1-(3,4-dichlorophenyl)-3-[5-(2,6-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]urea

1-(3,4-dichlorophenyl)-3-[5-(2,6-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]urea

Formula: C18H16Cl2N4O2S

SMILES: CC1=CC=CC(C)=C1OCC1=NN=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)S1

IUPAC: 1-(3,4-dichlorophenyl)-3-{5-[(2,6-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea

InChI: InChI=1S/C18H16Cl2N4O2S/c1-10-4-3-5-11(2)16(10)26-9-15-23-24-18(27-15)22-17(25)21-12-6-7-13(19)14(20)8-12/h3-8H,9H2,1-2H3,(H2,21,22,24,25)

Composition: C (51.07%), H (3.81%), Cl (16.75%), N (13.24%), O (7.56%), S (7.57%)

Molar Mass: 423.31

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	422.0371023
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WCAFJXSZRPBTAH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.95
Topological Polar Surface Area	76.14
Polarizability	40.53
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16Cl2N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00