Name: (RS)-[2-(3-{3-[2-methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
SMILES:
Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)c2)cc(COC2CCCCO2)n1Molecular Processing
Molecular formula
C33H36F3N3O6
Molecular weight
627.66
Exact mass
627.2556
XLogP
7.68
TPSA
115.85
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
161.67
Supplementary Information
Details werden geladen…
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