Name: 4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid ethyl ester
SMILES:
CCOC(=O)c1ccc(N2CCN(c3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cn3)CC2)cc1Molecular Processing
Molecular formula
C29H34N4O3
Molecular weight
486.62
Exact mass
486.2631
XLogP
5.13
TPSA
74.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
144.16
Supplementary Information
Details werden geladen…
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