Name: title compound
SMILES:
C[C@]12CC[C@@H](SC3CCNC3)CC1/C(=N/O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C27H40N2O6S
Molecular weight
520.69
Exact mass
520.2607
XLogP
4.21
TPSA
136.29
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
8
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.778
Molar refractivity
138.4
Supplementary Information
Details werden geladen…
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