Name: compound
SMILES:
CCOC(=O)C(CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C32H38O4S
Molecular weight
518.72
Exact mass
518.2491
XLogP
7.4
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
151.48
Supplementary Information
Details werden geladen…
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