SMILES:
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1OCMolecular Processing
Molecular formula
C39H40ClN4O3+
Molecular weight
648.23
Exact mass
647.2783
XLogP
6.74
TPSA
80.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
188.47
Supplementary Information
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