COCCCOc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc2n1
SMILES: COCCCOc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc2n1

Molecular Processing

Molecular formula
C41H52N2O8
Molecular weight
700.87
Exact mass
700.3724
XLogP
7.95
TPSA
97.81
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
17
Heavy atoms
51
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.463
Molar refractivity
196.68

Supplementary Information

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