CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(CC)OC(C)=O)CC3)CC2=O)cc1.Cl
SMILES: CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(CC)OC(C)=O)CC3)CC2=O)cc1.Cl

Molecular Processing

Molecular formula
C27H38ClN3O9
Molecular weight
584.07
Exact mass
583.2297
XLogP
2.28
TPSA
131.99
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
40
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.593
Molar refractivity
145.22

Supplementary Information

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