COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCCO)CCC3)cc1
SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCCO)CCC3)cc1

Molecular Processing

Molecular formula
C40H54N2O7
Molecular weight
674.88
Exact mass
674.3931
XLogP
7.13
TPSA
89.93
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.525
Molar refractivity
191.62

Supplementary Information

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