이름: {1-[5-bromo-2-(2-ethyl-butoxy)-benzyl]-5-methyl-1H-pyrazol-4-yl}-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1cnn(Cc2cc(Br)ccc2OCC(CC)CC)c1CMolecular Processing
Molecular formula
C21H29BrN2O3
Molecular weight
437.38
Exact mass
436.1362
XLogP
4.92
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
110.11
Supplementary Information
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