CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCN(C(=O)OCc1ccccc1)c1ccc(N(C)C(=O)CCN(C)C(=O)OC(C)(C)C)cc1
SMILES: CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCN(C(=O)OCc1ccccc1)c1ccc(N(C)C(=O)CCN(C)C(=O)OC(C)(C)C)cc1

Molecular Processing

Molecular formula
C51H66N6O8
Molecular weight
891.12
Exact mass
890.4942
XLogP
9.45
TPSA
141.27
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
19
Heavy atoms
65
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.431
Molar refractivity
254.85

Supplementary Information

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