2-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

Formula: C18H18N4O4S4

SMILES: COC1=CC=C(CSC2=NN=C(SCC(=O)NC3=CC=C(C=C3)S(N)(=O)=O)S2)C=C1

IUPAC: 2-[(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

InChI: InChI=1S/C18H18N4O4S4/c1-26-14-6-2-12(3-7-14)10-27-17-21-22-18(29-17)28-11-16(23)20-13-4-8-15(9-5-13)30(19,24)25/h2-9H,10-11H2,1H3,(H,20,23)(H2,19,24,25)

Composition: C (44.80%), H (3.76%), N (11.61%), O (13.26%), S (26.57%)

Molar Mass: 482.61

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	482.021089772
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IXSRZODELWKHKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.65
Topological Polar Surface Area	124.27
Polarizability	47.2
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N4O4S4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00