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

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

Formula: C25H27N3O6S

SMILES: COC1=CC(CN2CCN(CC2)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=CC=C1OCC1=CC=CC=C1

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

InChI: InChI=1S/C25H27N3O6S/c1-33-25-17-21(7-12-24(25)34-19-20-5-3-2-4-6-20)18-26-13-15-27(16-14-26)35(31,32)23-10-8-22(9-11-23)28(29)30/h2-12,17H,13-16,18-19H2,1H3

Composition: C (60.35%), H (5.47%), N (8.45%), O (19.29%), S (6.44%)

Molar Mass: 497.57

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	497.162056775
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	WSOCKDRGZWDAIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	132.53
Topological Polar Surface Area	102.22
Polarizability	51.71
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H27N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00