Name: 4-[1-methyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine
SMILES:
Cn1cc(-c2ccnc3c2cc([Si](C)(C)C)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1Molecular Processing
Molecular formula
C26H25N5O4SSi
Molecular weight
531.67
Exact mass
531.1397
XLogP
4.79
TPSA
112.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
146.03
Supplementary Information
Details werden geladen…
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