이름: compound
SMILES:
COc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1Molecular Processing
Molecular formula
C22H19ClN2O5S
Molecular weight
458.92
Exact mass
458.0703
XLogP
3.3
TPSA
98.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
117.08
Supplementary Information
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