COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)O)CC3c3ccc(OC)cc3)cc21
SMILES: COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)O)CC3c3ccc(OC)cc3)cc21

Molecular Processing

Molecular formula
C37H48N2O8S
Molecular weight
680.86
Exact mass
680.3131
XLogP
5.87
TPSA
114.84
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
48
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.486
Molar refractivity
184.46

Supplementary Information

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