SMILES:
CC(C)(Cc1ccccc1)OC(=O)CC1CC(CSc2nc3ccccc3s2)OC(C)(C)O1Molecular Processing
Molecular formula
C26H31NO4S2
Molecular weight
485.67
Exact mass
485.1695
XLogP
6.25
TPSA
57.65
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
133.72
Supplementary Information
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