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

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

Formula: C18H18N4O3S2

SMILES: COC1=CC=CC=C1NC(=O)NC1=NN=C(SCCOC2=CC=CC=C2)S1

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

InChI: InChI=1S/C18H18N4O3S2/c1-24-15-10-6-5-9-14(15)19-16(23)20-17-21-22-18(27-17)26-12-11-25-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,23)

Composition: C (53.72%), H (4.51%), N (13.92%), O (11.93%), S (15.93%)

Molar Mass: 402.49

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	402.082032804
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GAPXAGYBOVPHMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.31
Topological Polar Surface Area	85.37
Polarizability	40.61
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00