SMILES:
CCCCCCCCC(NC1CSc2ccccc2N(CC(=O)O)C1=O)C(=O)OCCMolecular Processing
Molecular formula
C23H34N2O5S
Molecular weight
450.6
Exact mass
450.2188
XLogP
3.85
TPSA
95.94
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
122.49
Supplementary Information
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