Name: tert-butyl 4-(N-methyl-N-phenylcarbamoyl)-3-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate TFA salt
SMILES:
CN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1COc1cccnc1)c1ccccc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C25H31F3N4O6
Molecular weight
540.54
Exact mass
540.2196
XLogP
4.27
TPSA
112.51
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
131.96
Supplementary Information
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