Name: 5-hydroxy-1-methylpyrazol-4-yl 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)phenyl ketone
SMILES:
Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=NOCC1Molecular Processing
Molecular formula
C16H17N3O5S
Molecular weight
363.4
Exact mass
363.0889
XLogP
1.19
TPSA
110.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
89.7
Supplementary Information
Details werden geladen…
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