SMILES:
CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Molecular Processing
Molecular formula
C21H27N3O3S
Molecular weight
401.53
Exact mass
401.1773
XLogP
2.68
TPSA
92.5
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
110.54
Supplementary Information
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