COC(=O)C(CC(C)C)OCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O
SMILES: COC(=O)C(CC(C)C)OCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O

Molecular Processing

Molecular formula
C32H39NO5S2
Molecular weight
581.8
Exact mass
581.227
XLogP
5.72
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
161.75

Supplementary Information

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