SMILES:
COc1cc(Oc2cnc(NC3CCS(=O)(=O)CC3)nc2N)c(C(C)C)cc1OC.ClMolecular Processing
Molecular formula
C20H29ClN4O5S
Molecular weight
473
Exact mass
472.1547
XLogP
3.4
TPSA
125.66
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
122.7
Supplementary Information
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Involved in 3 reactions→