Name: 5-(4-isobutyl-4H-[1,2,4]triazol-3-yl)-2,4-dimethoxy-benzaldehyde
SMILES:
COc1cc(OC)c(-c2nncn2CC(C)C)cc1C=OMolecular Processing
Molecular formula
C15H19N3O3
Molecular weight
289.34
Exact mass
289.1426
XLogP
2.43
TPSA
66.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
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
0.4
Molar refractivity
78.79
Supplementary Information
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