SMILES:
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1Molecular Processing
Molecular formula
C21H28Cl2N4O5
Molecular weight
487.38
Exact mass
486.1437
XLogP
3.31
TPSA
91.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
121.18
Supplementary Information
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