Name: 4-[(4-benzyloxy-3,5-dichloro-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
SMILES:
N#Cc1ccc(N(Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)n2cnnc2)cc1Molecular Processing
Molecular formula
C23H17Cl2N5O
Molecular weight
450.33
Exact mass
449.081
XLogP
5.51
TPSA
66.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
120
Supplementary Information
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