1-(2-fluorophenyl)-4-(2-methoxynaphthalen-1-ylsulfinyl)piperazine

1-(2-fluorophenyl)-4-(2-methoxynaphthalen-1-ylsulfinyl)piperazine

CAS: 477714-14-0

Formula: C21H21FN2O2S

SMILES: COC1=C(C2=CC=CC=C2C=C1)S(=O)N1CCN(CC1)C1=C(F)C=CC=C1

IUPAC: 1-(2-fluorophenyl)-4-[(2-methoxynaphthalen-1-yl)sulfinyl]piperazine

InChI: InChI=1/C21H21FN2O2S/c1-26-20-11-10-16-6-2-3-7-17(16)21(20)27(25)24-14-12-23(13-15-24)19-9-5-4-8-18(19)22/h2-11H,12-15H2,1H3

Composition: C (65.60%), H (5.51%), F (4.94%), N (7.29%), O (8.32%), S (8.34%)

Molar Mass: 384.47

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	384.130777261
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ASILHESPXNWXGS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.21
Topological Polar Surface Area	32.78
Polarizability	42.1
Ring Count	4
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477714-14-0		$51.35-$86.31$51.35$63.37$86.31