Name: tert-butyl (Z)-4-({6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-3-oxo-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
SMILES:
Cc1ccc2c(/C=C3\Oc4c(ccc(O)c4CN4CCN(C(=O)OC(C)(C)C)CC4)C3=O)c[nH]c2n1Molecular Processing
Molecular formula
C27H30N4O5
Molecular weight
490.56
Exact mass
490.2216
XLogP
4.25
TPSA
107.99
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
134.96
Supplementary Information
Details werden geladen…
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