CCCCc1nnc(OCC2CN(C(=O)OC(C)(C)C)CCC2O)cc1-c1ccc(OC2CCCCC2)cc1
SMILES: CCCCc1nnc(OCC2CN(C(=O)OC(C)(C)C)CCC2O)cc1-c1ccc(OC2CCCCC2)cc1

Molecular Processing

Molecular formula
C31H45N3O5
Molecular weight
539.72
Exact mass
539.3359
XLogP
6.19
TPSA
94.01
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
151

Supplementary Information

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