SMILES:
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1Molecular Processing
Molecular formula
C22H26ClN3O5S
Molecular weight
479.99
Exact mass
479.1282
XLogP
2.03
TPSA
107.02
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
121.34
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→