Name: 5-n-butyl-2-cyclopropyl-4-[(2'-cyanobiphenyl-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(C2CC2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C23H24N4O
Molecular weight
372.47
Exact mass
372.195
XLogP
4.31
TPSA
63.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
109.07
Supplementary Information
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