5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

CAS: 161796-78-7

Formula: C17H19N3O3S

SMILES: COC1=CC=C2NC(=NC2=C1)[S@@](=O)CC1=NC=C(C)C(OC)=C1C

IUPAC: 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole

InChI: InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

Composition: C (59.11%), H (5.54%), N (12.17%), O (13.90%), S (9.28%)

Molar Mass: 345.42

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	345.114712658
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SUBDBMMJDZJVOS-DEOSSOPVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.66
Topological Polar Surface Area	77.1
Polarizability	37.35
Ring Count	3
Rotatable Bond Count	5

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