Name: 1-(2-methoxy-4-(1-Boc-4-piperidyloxy)phenylacetyl)-4-(2-methylphenyl)piperazine-2-carboxamide
SMILES:
COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1CC(=O)N1CCN(c2ccccc2C)CC1C(N)=OMolecular Processing
Molecular formula
C31H42N4O6
Molecular weight
566.7
Exact mass
566.3104
XLogP
3.53
TPSA
114.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
156.24
Supplementary Information
Details werden geladen…
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