Name: methyl 7-(4-benzyloxycarbonyl-piperazin-1-yl)-3-oxo-4-heptenoate
SMILES:
COC(=O)CC(=O)C=CCCN1CCN(C(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C20H26N2O5
Molecular weight
374.44
Exact mass
374.1842
XLogP
2.02
TPSA
76.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
100.04
Supplementary Information
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