CC(C(=O)N1CCOCC1)N1CCC(N(Cc2ccoc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
SMILES: CC(C(=O)N1CCOCC1)N1CCC(N(Cc2ccoc2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

Molecular Processing

Molecular formula
C26H28ClN3O6S
Molecular weight
546.05
Exact mass
545.1387
XLogP
3.13
TPSA
100.37
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
137.37

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→