SMILES:
C#CCOC(=O)N(C)[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C26H31Cl2N3O4
Molecular weight
520.46
Exact mass
519.1692
XLogP
4.03
TPSA
70.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
134.16
Supplementary Information
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