Name: 4-{4-[5-(3-tert-butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid
SMILES:
CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)nc2)c1Molecular Processing
Molecular formula
C27H30N4O3
Molecular weight
458.56
Exact mass
458.2318
XLogP
4.66
TPSA
85.77
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
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
0.296
Molar refractivity
135.16
Supplementary Information
Details werden geladen…
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