SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(S(=O)(=O)CC)=CCC3(C)C)cc1Molecular Processing
Molecular formula
C25H26O4S
Molecular weight
422.55
Exact mass
422.1552
XLogP
4.72
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
119.9
Supplementary Information
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