الاسم: ( 21b )
SMILES:
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC4COC5(CCCC5)OC4.[Na]Molecular Processing
Molecular formula
C23H27N3NaO4S
Molecular weight
464.54
Exact mass
464.162
XLogP
3.51
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.478
Molar refractivity
123.02
Supplementary Information
InChIKey: FCVUCRIIBRZLFL-UHFFFAOYSA-N
مرادفات
SCHEMBL714796FCVUCRIIBRZLFL-UHFFFAOYSA-N2-(((4-(6,10-dioxaspiro[4.5]dec-8-ylmethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt
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