SMILES:
Cc1ccccc1CSC1CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12CMolecular Processing
Molecular formula
C27H32O2S
Molecular weight
420.62
Exact mass
420.2123
XLogP
6.08
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
123.27
Supplementary Information
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