Cc1csc(CCC2(C(C)C)CC(O)=C(Sc3cc(C)c(CO)cc3C(C)(C)C)C(=O)O2)n1
名称: title compound
SMILES: Cc1csc(CCC2(C(C)C)CC(O)=C(Sc3cc(C)c(CO)cc3C(C)(C)C)C(=O)O2)n1

Molecular Processing

Molecular formula
C26H35NO4S2
Molecular weight
489.7
Exact mass
489.2008
XLogP
6.39
TPSA
79.65
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
134.76

Supplementary Information

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