Name: (R)-6-(5-bromo-3-cyano-1-cyclopentyl-6-methyl-1H-indol-2-yl)-pyridine-3-sulfonic acid (2,2,2-trifluoro-1-methyl-ethyl)-amide
SMILES:
Cc1cc2c(cc1Br)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1Molecular Processing
Molecular formula
C23H22BrF3N4O2S
Molecular weight
555.42
Exact mass
554.0599
XLogP
5.99
TPSA
87.78
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
125.66
Supplementary Information
Details werden geladen…
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