SMILES:
COc1cc(CNc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1OMolecular Processing
Molecular formula
C23H29N5O4S
Molecular weight
471.58
Exact mass
471.194
XLogP
2.58
TPSA
130.67
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
128.38
Supplementary Information
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