Name: 5-Chloro-2-[5-(4-ethoxycarbonyl-piperidin-1-yl)-2-fluoro-phenyl]-benzoimidazole-1-carboxylic acid tert-butyl ester
SMILES:
CCOC(=O)C1CCN(c2ccc(F)c(-c3nc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c2)CC1Molecular Processing
Molecular formula
C26H29ClFN3O4
Molecular weight
501.99
Exact mass
501.1831
XLogP
6.06
TPSA
73.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
133.34
Supplementary Information
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Involved in 2 reactions→