Название: (1-benzyl-4-(4-(pyridin-4-yl)piperazin-1-yl)piperidin-4-yl)methanamine
SMILES:
NCC1(N2CCN(c3ccncc3)CC2)CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C22H31N5
Molecular weight
365.53
Exact mass
365.2579
XLogP
2.2
TPSA
48.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.76
Supplementary Information
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