SMILES:
COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C1CCC(=O)CC1Molecular Processing
Molecular formula
C20H26BrNO4S
Molecular weight
456.4
Exact mass
455.0766
XLogP
4.97
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
109.23
Supplementary Information
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