Name: tert-Butyl 3-(4-phenoxyphenyl)-1H-pyrazole-4-carboxylate
SMILES:
CC(C)(C)OC(=O)c1c[nH]nc1-c1ccc(Oc2ccccc2)cc1Molecular Processing
Molecular formula
C20H20N2O3
Molecular weight
336.39
Exact mass
336.1474
XLogP
4.82
TPSA
64.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
95.71
Supplementary Information
Details werden geladen…
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