名称: N-((1-benzyl-4-(4-cyclopropylpiperazin-1-yl)-piperidin-4-yl)methyl)-2,2,2-trifluoroacetamide
SMILES:
O=C(NCC1(N2CCN(C3CC3)CC2)CCN(Cc2ccccc2)CC1)C(F)(F)FMolecular Processing
Molecular formula
C22H31F3N4O
Molecular weight
424.51
Exact mass
424.245
XLogP
2.48
TPSA
38.82
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
108.92
Supplementary Information
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