4-(2H-1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

4-(2H-1,3-benzodioxol-5-ylmethyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Formula: C19H22N4O4S2

SMILES: NS(=O)(=O)C1=CC=C(NC(=S)N2CCN(CC3=CC=C4OCOC4=C3)CC2)C=C1

IUPAC: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

InChI: InChI=1S/C19H22N4O4S2/c20-29(24,25)16-4-2-15(3-5-16)21-19(28)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)(H2,20,24,25)

Composition: C (52.52%), H (5.10%), N (12.89%), O (14.73%), S (14.76%)

Molar Mass: 434.53

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	434.108247552
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AEKDHPBYUMXAPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.97
Topological Polar Surface Area	97.13
Polarizability	45.22
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22N4O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00