COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(=O)O)nc2OCCOc2ncccn2)c1
SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(=O)O)nc2OCCOc2ncccn2)c1

Molecular Processing

Molecular formula
C28H29N5O8S
Molecular weight
595.63
Exact mass
595.1737
XLogP
4.32
TPSA
171.95
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
151.03

Supplementary Information

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