الاسم: (+/−)-3-{4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-butan-1-ol
SMILES:
Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)CCOMolecular Processing
Molecular formula
C24H28Cl2N2O2
Molecular weight
447.41
Exact mass
446.1528
XLogP
6.68
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
123.3
Supplementary Information
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