이름: 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-(1-methylethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate
SMILES:
CCOC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)C(C(C)C)C3)cn(C(=O)OC(C)(C)C)c12Molecular Processing
Molecular formula
C24H32BrNO6S
Molecular weight
542.49
Exact mass
541.1134
XLogP
5.68
TPSA
91.67
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
131.61
Supplementary Information
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