SMILES:
CCC(=O)c1cc(C)c(-c2ccc(OC)c(-c3ccc(S(N)(=O)=O)cc3)c2)n1CMolecular Processing
Molecular formula
C22H24N2O4S
Molecular weight
412.51
Exact mass
412.1457
XLogP
3.92
TPSA
91.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.57
Supplementary Information
Obteniendo detalles…
Participa en 1 reacciones→