Nom: 1-[5-(1,2-dihydroxy-2-methylpropyl)-1,3-thiazol-2-yl]-5-[4-(methylsulfonyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione
SMILES:
CC(C)(O)C(O)c1cnc(C(=O)CCC(=O)C(CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)s1Molecular Processing
Molecular formula
C25H33NO7S2
Molecular weight
523.67
Exact mass
523.1698
XLogP
3.48
TPSA
130.86
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
132.4
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→