CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(NS(=O)(=O)c3ccc(O)c(N)c3)c3ccccc3c2O)c(C(C)(C)CC)c1
SMILES: CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(NS(=O)(=O)c3ccc(O)c(N)c3)c3ccccc3c2O)c(C(C)(C)CC)c1

Molecular Processing

Molecular formula
C37H47N3O6S
Molecular weight
661.86
Exact mass
661.3186
XLogP
7.6
TPSA
150.98
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
47
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.378
Molar refractivity
189.08

Supplementary Information

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