Nom: title compound
SMILES:
CCC(C)c1ccccc1SC1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C29H30O3S
Molecular weight
458.62
Exact mass
458.1916
XLogP
7.54
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
134.25
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→