Name: 4-{[2-(4-benzyloxyphenyl)ethyl]-[1,2,4]triazol-4-yl-amino}benzonitrile
SMILES:
N#Cc1ccc(N(CCc2ccc(OCc3ccccc3)cc2)n2cnnc2)cc1Molecular Processing
Molecular formula
C24H21N5O
Molecular weight
395.47
Exact mass
395.1746
XLogP
4.24
TPSA
66.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
114.84
Supplementary Information
Details werden geladen…
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