이름: 1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate
SMILES:
COC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)CC3)cn(C(=O)OC(C)(C)C)c12Molecular Processing
Molecular formula
C20H24BrNO6S
Molecular weight
486.38
Exact mass
485.0508
XLogP
4.27
TPSA
91.67
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
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
0.5
Molar refractivity
113.24
Supplementary Information
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