이름: #20
SMILES:
CO[C@H]([C@@H](C)C(=O)NCCc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C22H34N2O4
Molecular weight
390.52
Exact mass
390.2519
XLogP
3.4
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
109.08
Supplementary Information
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