5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

CAS: 142706-18-1

Formula: C16H15F2N3O4S

SMILES: COC1=C(OC)C(C[S@@](=O)C2=NC3=CC(OC(F)F)=CC=C3N2)=NC=C1

IUPAC: 5-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

InChI: InChI=1S/C16H15F2N3O4S/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,(H,20,21)/t26-/m1/s1

Composition: C (50.13%), H (3.94%), F (9.91%), N (10.96%), O (16.69%), S (8.36%)

Molar Mass: 383.37

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	383.075133475
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IQPSEEYGBUAQFF-AREMUKBSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.05
Topological Polar Surface Area	86.33
Polarizability	35.87
Ring Count	3
Rotatable Bond Count	7

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