COc1cc(N)c(Cl)cc1C(=O)NCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)C1
SMILES: COc1cc(N)c(Cl)cc1C(=O)NCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)C1

Molecular Processing

Molecular formula
C25H33Cl2N5O4
Molecular weight
538.48
Exact mass
537.191
XLogP
3.44
TPSA
131.94
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
143.28

Supplementary Information

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