C[C@@H](C(=O)O)N1CC[C@H](N(Cc2nccs2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
SMILES: C[C@@H](C(=O)O)N1CC[C@H](N(Cc2nccs2)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

Molecular Processing

Molecular formula
C21H20ClN3O5S2
Molecular weight
493.99
Exact mass
493.0533
XLogP
3.21
TPSA
107.88
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
121.02

Supplementary Information

Récupération des détails…

Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→