Name: 4-benzyloxycarbonyl-1-{4-[5-fluoro-1-(2-trimethylsilylethane-sulfonyl)indol-3-yl]piperidine-1-sulfonyl}piperazine-2-(RS)-carboxylic acid
SMILES:
C[Si](C)(C)CCS(=O)(=O)n1cc(C2CCN(S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3C(=O)O)CC2)c2cc(F)ccc21Molecular Processing
Molecular formula
C31H41FN4O8S2Si
Molecular weight
708.91
Exact mass
708.2119
XLogP
4.13
TPSA
146.53
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
178.03
Supplementary Information
Details werden geladen…
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