Name: Compound A
SMILES:
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCN)c1.ClMolecular Processing
Molecular formula
C23H29ClN4O5S
Molecular weight
509.03
Exact mass
508.1547
XLogP
4.14
TPSA
125.66
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.304
Molar refractivity
132.85
Supplementary Information
Details werden geladen…
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