sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2H-1,3-benzodiazol-2-ide

sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2H-1,3-benzodiazol-2-ide

CAS: 138786-67-1

Formula: C16H14F2N3NaO4S

SMILES: [Na+].COC1=CC=NC(CS(=O)[C-]2N=C3C=CC(OC(F)F)=CC3=N2)=C1OC

IUPAC: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2H-1,3-benzodiazol-2-ide

InChI: InChI=1/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1

Composition: C (47.41%), H (3.48%), F (9.37%), N (10.37%), Na (5.67%), O (15.79%), S (7.91%)

Molar Mass: 405.35

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	405.05707772
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	YNWDKZIIWCEDEE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.64
Topological Polar Surface Area	83.43
Polarizability	35.61
Ring Count	3
Rotatable Bond Count	7

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