SMILES:
O=C(C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1)N1CCN(CCO)CC1Molecular Processing
Molecular formula
C26H32ClN7O2
Molecular weight
510.04
Exact mass
509.2306
XLogP
2.64
TPSA
97.72
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
141.15
Supplementary Information
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