3-{5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

3-{5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

Formula: C19H18Cl2N4O3S

SMILES: COC1=CC=CC=C1NC(=O)NC1=NN=C(CCCOC2=CC=C(Cl)C=C2Cl)S1

IUPAC: 3-{5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

InChI: InChI=1S/C19H18Cl2N4O3S/c1-27-16-6-3-2-5-14(16)22-18(26)23-19-25-24-17(29-19)7-4-10-28-15-9-8-12(20)11-13(15)21/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H2,22,23,25,26)

Composition: C (50.34%), H (4.00%), Cl (15.64%), N (12.36%), O (10.59%), S (7.07%)

Molar Mass: 453.34

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.047667
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BLZIJSXCNIEABE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.79
Topological Polar Surface Area	85.37
Polarizability	43.13
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18Cl2N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00