SMILES:
Cc1cc(C)c(S(=O)(=O)NCC(O)(Cn2cncn2)c2ccc(Cl)cc2Cl)c(C)c1Molecular Processing
Molecular formula
C20H22Cl2N4O3S
Molecular weight
469.39
Exact mass
468.079
XLogP
3.38
TPSA
97.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
116.22
Supplementary Information
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