SMILES:
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)NCCC3)cc1Molecular Processing
Molecular formula
C37H48N2O6
Molecular weight
616.8
Exact mass
616.3512
XLogP
7.35
TPSA
78.49
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.486
Molar refractivity
176.2
Supplementary Information
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