SMILES:
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC2C(S1)N(C(C)C)CCN2C(C)CMolecular Processing
Molecular formula
C20H34N2O4S2
Molecular weight
430.64
Exact mass
430.196
XLogP
3.67
TPSA
59.08
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
115.92
Supplementary Information
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