SMILES:
CN1N=C(C(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2cc(CN3CCOCC3)ccc21Molecular Processing
Molecular formula
C21H23ClN4O4S
Molecular weight
462.96
Exact mass
462.1129
XLogP
2.03
TPSA
91.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
118.86
Supplementary Information
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