CN1c2ccccc2S(=O)(=O)c2ccc(C(CC3CCOCC3)C(=O)Nc3nc(CC(=O)O)cs3)cc21
SMILES: CN1c2ccccc2S(=O)(=O)c2ccc(C(CC3CCOCC3)C(=O)Nc3nc(CC(=O)O)cs3)cc21

Molecular Processing

Molecular formula
C26H27N3O6S2
Molecular weight
541.65
Exact mass
541.1341
XLogP
4.22
TPSA
125.9
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
139.38

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→