名称: ( 6f )
SMILES:
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC4COC(OC4)OC.[Na]Molecular Processing
Molecular formula
C20H23N3NaO5S
Molecular weight
440.48
Exact mass
440.1256
XLogP
2.17
TPSA
95.56
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
112.62
Supplementary Information
InChIKey: RKQOGBUQORERLC-UHFFFAOYSA-N
同義語
SCHEMBL711728RKQOGBUQORERLC-UHFFFAOYSA-N2-(((4-((2-methoxy-1,3-dioxan-5-yl)methoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt
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