SMILES:
CCCOc1ccccc1-c1ccc2c(c1)C=C(C(=O)Nc1ccc(CN(C)C3CCOCC3)cc1)CCS2(=O)=OMolecular Processing
Molecular formula
C33H38N2O5S
Molecular weight
574.74
Exact mass
574.2501
XLogP
5.95
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
162.69
Supplementary Information
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