CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2ccc(Cl)cc2Cl)C3)cc1
SMILES: CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2ccc(Cl)cc2Cl)C3)cc1

Molecular Processing

Molecular formula
C25H28Cl2N6O2
Molecular weight
515.45
Exact mass
514.1651
XLogP
5.82
TPSA
73.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
141.48

Supplementary Information

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