SMILES:
CCCCCCCCCCCCCCCCCCN1C(=O)CC(Sc2cc(C)c(N)c(C(C)(C)C)c2)C1=OMolecular Processing
Molecular formula
C33H56N2O2S
Molecular weight
544.89
Exact mass
544.4063
XLogP
9.36
TPSA
63.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
38
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.758
Molar refractivity
164.82
Supplementary Information
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