1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzenesulfonyl)piperazine

1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzenesulfonyl)piperazine

Formula: C19H23N3O5S

SMILES: CCOC1=CC=CC=C1CN1CCN(CC1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O

IUPAC: 1-[(2-ethoxyphenyl)methyl]-4-(2-nitrobenzenesulfonyl)piperazine

InChI: InChI=1S/C19H23N3O5S/c1-2-27-18-9-5-3-7-16(18)15-20-11-13-21(14-12-20)28(25,26)19-10-6-4-8-17(19)22(23)24/h3-10H,2,11-15H2,1H3

Composition: C (56.28%), H (5.72%), N (10.36%), O (19.73%), S (7.91%)

Molar Mass: 405.47

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	405.135842027
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	CKYMMJFQJKKGPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.2
Topological Polar Surface Area	92.99
Polarizability	41.46
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H23N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00