SMILES:
COc1cc(CN2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1Molecular Processing
Molecular formula
C26H30N6O4S
Molecular weight
522.63
Exact mass
522.2049
XLogP
3.38
TPSA
101.3
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
144.04
Supplementary Information
Details werden geladen…
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