SMILES:
COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1Molecular Processing
Molecular formula
C20H28BrNO4S
Molecular weight
458.42
Exact mass
457.0922
XLogP
4.76
TPSA
66.84
H-bond donors
1
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
0.7
Molar refractivity
110.23
Supplementary Information
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Involved in 14 reactions→