SMILES:
CC(NC(Nc1cccc(C#N)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)CMolecular Processing
Molecular formula
C22H23ClN4O2S
Molecular weight
442.97
Exact mass
442.123
XLogP
4.81
TPSA
105.78
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
118.11
Supplementary Information
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