이름: title compound
SMILES:
COC(=O)c1ccc(N(NC(=O)OC(C)(C)C)C(=O)NC(=O)c2c(F)cccc2Cl)cc1OCMolecular Processing
Molecular formula
C22H23ClFN3O7
Molecular weight
495.89
Exact mass
495.1209
XLogP
4.07
TPSA
123.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
120.45
Supplementary Information
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