名称: 2,4-Dioxo-3-(4-phenylbutyl)-3,9-diaza-bicyclo[3.3.1]nonane-9-carboxylic acid benzyl ester
SMILES:
O=C1C2CCCC(C(=O)N1CCCCc1ccccc1)N2C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C25H28N2O4
Molecular weight
420.51
Exact mass
420.2049
XLogP
3.94
TPSA
66.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
115.99
Supplementary Information
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