الاسم: 5-methyl-6-(1-ethyl-5-hydroxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
SMILES:
CCn1ncc(C(=O)c2ccc3c(c2C)CCCS3(=O)=O)c1OMolecular Processing
Molecular formula
C16H18N2O4S
Molecular weight
334.4
Exact mass
334.0987
XLogP
1.87
TPSA
89.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.55
Supplementary Information
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