CCCN(CC)Cc1ccc2c(c1)cc(-c1cc(OC)c(OS(C)(=O)=O)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C
SMILES: CCCN(CC)Cc1ccc2c(c1)cc(-c1cc(OC)c(OS(C)(=O)=O)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C29H37N3O7S
Molecular weight
571.7
Exact mass
571.2352
XLogP
4.91
TPSA
116.17
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
153.44

Supplementary Information

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