Название: methyl-3-[(t-butoxycarbonylamino)methyl]-2-(methoxycarbonyl)benzoate
SMILES:
COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1C(=O)OCMolecular Processing
Molecular formula
C16H21NO6
Molecular weight
323.35
Exact mass
323.1369
XLogP
2.28
TPSA
90.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
82.19
Supplementary Information
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