Name: (5-chloro-4-methyl-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester
SMILES:
Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C)c(Cl)cc3NC(=O)OC(C)(C)C)c2)ccn1Molecular Processing
Molecular formula
C27H28ClN3O4
Molecular weight
493.99
Exact mass
493.1768
XLogP
6.58
TPSA
97.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
138.03
Supplementary Information
Details werden geladen…
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