이름: trans-(-)-octahydro-7-[[[(4-methylphenyl)sulfonyl]oxy]methylene]-1-(n-propyl)-6(2H)-quinolinone
SMILES:
CCCN1CCC[C@@H]2CC(=O)C(=COS(=O)(=O)c3ccc(C)cc3)C[C@H]21Molecular Processing
Molecular formula
C20H27NO4S
Molecular weight
377.51
Exact mass
377.1661
XLogP
3.44
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
100.15
Supplementary Information
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