2-(4-methoxyphenoxy)-4,6-dimethyl-3-(4-methylbenzenesulfonyl)pyridine

2-(4-methoxyphenoxy)-4,6-dimethyl-3-(4-methylbenzenesulfonyl)pyridine

CAS: 478245-34-0

Formula: C21H21NO4S

SMILES: COC1=CC=C(OC2=C(C(C)=CC(C)=N2)S(=O)(=O)C2=CC=C(C)C=C2)C=C1

IUPAC: 2-(4-methoxyphenoxy)-4,6-dimethyl-3-(4-methylbenzenesulfonyl)pyridine

InChI: InChI=1S/C21H21NO4S/c1-14-5-11-19(12-6-14)27(23,24)20-15(2)13-16(3)22-21(20)26-18-9-7-17(25-4)8-10-18/h5-13H,1-4H3

Composition: C (65.78%), H (5.52%), N (3.65%), O (16.69%), S (8.36%)

Molar Mass: 383.46

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	383.119129334
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UZOVFXXZWKGMFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.12
Topological Polar Surface Area	65.49
Polarizability	41.63
Ring Count	3
Rotatable Bond Count	5

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