1-(2-methoxynaphthalen-1-ylsulfinyl)-4-(pyridin-2-yl)piperazine

1-(2-methoxynaphthalen-1-ylsulfinyl)-4-(pyridin-2-yl)piperazine

CAS: 477762-10-0

Formula: C20H21N3O2S

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

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

InChI: InChI=1/C20H21N3O2S/c1-25-18-10-9-16-6-2-3-7-17(16)20(18)26(24)23-14-12-22(13-15-23)19-8-4-5-11-21-19/h2-11H,12-15H2,1H3

Composition: C (65.37%), H (5.76%), N (11.44%), O (8.71%), S (8.72%)

Molar Mass: 367.47

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	367.135448102
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XDEWXYYZJLCHAT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.15
Topological Polar Surface Area	45.67
Polarizability	41.56
Ring Count	4
Rotatable Bond Count	3

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