이름: 4-[5-(4-Benzyloxy-phenyl)-6-butyl-pyridazin-3-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CCCCc1nnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OCc2ccccc2)cc1Molecular Processing
Molecular formula
C32H41N3O4
Molecular weight
531.7
Exact mass
531.3097
XLogP
7.09
TPSA
73.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
39
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
0.469
Molar refractivity
152.88
Supplementary Information
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