名称: ethyl 4-[1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]-benzoate
SMILES:
CCOC(=O)c1ccc(-c2cc(C3CC(C)(C)OC(C)(C)C3)nn2-c2ccccc2OC)cc1Molecular Processing
Molecular formula
C28H34N2O4
Molecular weight
462.59
Exact mass
462.2519
XLogP
6.18
TPSA
62.58
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
132.73
Supplementary Information
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