SMILES:
Cc1sc2nc(-c3cnccn3)nc(NCCc3ccc4c(c3)OCCO4)c2c1ClMolecular Processing
Molecular formula
C21H18ClN5O2S
Molecular weight
439.93
Exact mass
439.087
XLogP
4.54
TPSA
82.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
117.81
Supplementary Information
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