N-(5-undecyl-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

N-(5-undecyl-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

Formula: C21H29N3O3S

SMILES: CCCCCCCCCCCC1=NN=C(NC(=O)C2=CC=C3OCOC3=C2)S1

IUPAC: N-(5-undecyl-1,3,4-thiadiazol-2-yl)-2H-1,3-benzodioxole-5-carboxamide

InChI: InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-9-10-11-19-23-24-21(28-19)22-20(25)16-12-13-17-18(14-16)27-15-26-17/h12-14H,2-11,15H2,1H3,(H,22,24,25)

Composition: C (62.50%), H (7.24%), N (10.41%), O (11.89%), S (7.94%)

Molar Mass: 403.54

Atom Count: 57

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.19296298
Formal Charge	0
FSP3	0.57
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WUSYQPUEBAXLML-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	112.64
Topological Polar Surface Area	73.34
Polarizability	42.52
Ring Count	3
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H29N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00