CCCCN(CCCC)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)N[C@@H](Cc3ccc(-c4ccccc4Oc4ccccc4)cc3)C(=O)OC)cccc12
SMILES: CCCCN(CCCC)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)N[C@@H](Cc3ccc(-c4ccccc4Oc4ccccc4)cc3)C(=O)OC)cccc12

Molecular Processing

Molecular formula
C47H48ClN3O6S
Molecular weight
818.44
Exact mass
817.2952
XLogP
10.67
TPSA
114.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
18
Heavy atoms
58
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.234
Molar refractivity
233.61

Supplementary Information

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