Nombre: compound 1-F
SMILES:
COC(=O)c1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2nc3ccccn3c2C)cc1Molecular Processing
Molecular formula
C21H23N3O6S
Molecular weight
445.5
Exact mass
445.1308
XLogP
3.56
TPSA
107.28
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
113.61
Supplementary Information
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