이름: methyl 2-acetamido-3-[2-(2-t-butoxycarbonylamino-ethoxy)-4-cyanophenyl]-acrylate
SMILES:
COC(=O)C(=Cc1ccc(C#N)cc1OCCNC(=O)OC(C)(C)C)NC(C)=OMolecular Processing
Molecular formula
C20H25N3O6
Molecular weight
403.44
Exact mass
403.1743
XLogP
2.11
TPSA
126.75
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
104.7
Supplementary Information
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