SMILES:
C#CCN(Cc1cc2c(=O)n(C)c(CO)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C25H26ClN3O4
Molecular weight
467.95
Exact mass
467.1612
XLogP
3.67
TPSA
84.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
129.41
Supplementary Information
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