SMILES:
CCOCc1nc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4)c(=O)n(C)c2n3C)cs1Molecular Processing
Molecular formula
C25H22ClN3O2S
Molecular weight
463.99
Exact mass
463.1121
XLogP
6.01
TPSA
49.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
132.55
Supplementary Information
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