CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCN(Cc4ccccc4)CC3)C2C(=O)OCC)cc1
SMILES: CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCN(Cc4ccccc4)CC3)C2C(=O)OCC)cc1

Molecular Processing

Molecular formula
C28H34N2O5S2
Molecular weight
542.72
Exact mass
542.1909
XLogP
3.79
TPSA
76.15
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
145.84

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→