이름: 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate
SMILES:
CCOC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)CC3)cn(C(=O)OC(C)(C)C)c12Molecular Processing
Molecular formula
C21H26BrNO6S
Molecular weight
500.41
Exact mass
499.0664
XLogP
4.66
TPSA
91.67
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
117.86
Supplementary Information
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