SMILES:
Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc(C)c1OMolecular Processing
Molecular formula
C37H50N6O7
Molecular weight
690.84
Exact mass
690.3741
XLogP
3.3
TPSA
146.2
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
50
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.568
Molar refractivity
187.27
Supplementary Information
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