الاسم: 5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-thiophen-2-yl-2,3-dihydro-pyridazine-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(O)c(-c2cccs2)nn(CCC(C)C)c1=OMolecular Processing
Molecular formula
C16H20N2O4S
Molecular weight
336.41
Exact mass
336.1144
XLogP
2.9
TPSA
81.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
88.89
Supplementary Information
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