SMILES:
CC(=N)N1CC[C@H](Oc2ccc(C(Cc3cc4cc(C(=N)N)ccc4o3)C(=O)O)cc2)C1.Cl.ClMolecular Processing
Molecular formula
C24H28Cl2N4O4
Molecular weight
507.42
Exact mass
506.1488
XLogP
4.42
TPSA
136.63
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.292
Molar refractivity
136.26
Supplementary Information
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