CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC45COC(OC4)(OC5)C.[Na]
Name: ( 24f )
SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC45COC(OC4)(OC5)C.[Na]

Molecular Processing

Molecular formula
C21H23N3NaO5S
Molecular weight
452.49
Exact mass
452.1256
XLogP
2.31
TPSA
95.56
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
115.12

Supplementary Information

InChIKey: UNDOYSNJCAGIDJ-UHFFFAOYSA-N
Synonyme
SCHEMBL712482UNDOYSNJCAGIDJ-UHFFFAOYSA-N2-(((3-methyl-4-((1-methyl-2,6,7-trioxabicyclo[2.2.2]oct-4-yl)methoxy)pyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt
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