1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(propane-1-sulfonyl)piperazine

1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(propane-1-sulfonyl)piperazine

Formula: C22H30N2O4S

SMILES: CCCS(=O)(=O)N1CCN(CC2=CC=C(OCC3=CC=CC=C3)C(OC)=C2)CC1

IUPAC: 1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(propane-1-sulfonyl)piperazine

InChI: InChI=1S/C22H30N2O4S/c1-3-15-29(25,26)24-13-11-23(12-14-24)17-20-9-10-21(22(16-20)27-2)28-18-19-7-5-4-6-8-19/h4-10,16H,3,11-15,17-18H2,1-2H3

Composition: C (63.13%), H (7.22%), N (6.69%), O (15.29%), S (7.66%)

Molar Mass: 418.55

Atom Count: 59

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	418.192628628
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	CILQKQNLPSEEPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.46
Topological Polar Surface Area	59.08
Polarizability	45.79
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H30N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00