SMILES:
Cc1c(OCC2COC3(CCC3)OC2)ccnc1CS(=O)c1nc2ccccc2[nH]1.[Na]Molecular Processing
Molecular formula
C22H25N3NaO4S
Molecular weight
450.52
Exact mass
450.1463
XLogP
3.12
TPSA
86.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
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
0.455
Molar refractivity
118.41
Supplementary Information
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Involved in 2 reactions→