CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
SMILES: CC(C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

Molecular Processing

Molecular formula
C21H24ClN3O5S
Molecular weight
465.96
Exact mass
465.1125
XLogP
1.62
TPSA
96.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
116.26

Supplementary Information

Récupération des détails…

Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→