2,6-dimethoxy-4-{[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]methyl}phenol

2,6-dimethoxy-4-{[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]methyl}phenol

Formula: C20H26N2O6S

SMILES: COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC2=CC(OC)=C(O)C(OC)=C2)CC1

IUPAC: 2,6-dimethoxy-4-{[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]methyl}phenol

InChI: InChI=1S/C20H26N2O6S/c1-26-16-4-6-17(7-5-16)29(24,25)22-10-8-21(9-11-22)14-15-12-18(27-2)20(23)19(13-15)28-3/h4-7,12-13,23H,8-11,14H2,1-3H3

Composition: C (56.86%), H (6.20%), N (6.63%), O (22.72%), S (7.59%)

Molar Mass: 422.5

Atom Count: 55

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.151157739
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	NLKHEMDZUYITKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.04
Topological Polar Surface Area	88.54
Polarizability	43.4
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H26N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00