الاسم: 2-methyl-2-{[1-(2-phenoxy-ethoxy)-naphthalene-2-carbonyl]-amino}-butyric acid
SMILES:
CCC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C24H25NO5
Molecular weight
407.47
Exact mass
407.1733
XLogP
4.28
TPSA
84.86
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
115.18
Supplementary Information
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