Name: 2,6-difluoro-N-(2-(1-methyl-1H-indol-5-yl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
SMILES:
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3c(c2)cc(-c2ccc4c(ccn4C)c2)n3S(=O)(=O)c2ccccc2)c1FMolecular Processing
Molecular formula
C32H27F2N5O5S2
Molecular weight
663.73
Exact mass
663.1422
XLogP
6.11
TPSA
132.16
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
172.68
Supplementary Information
Details werden geladen…
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