이름: 5-n-butyl-2,4-dihydro-2-[1-(N-methylcarbamoyl)ethyl]-4-[(2'-cyanobiphenyl-4-yl)methyl]-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(C(C)C(=O)NC)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C24H27N5O2
Molecular weight
417.51
Exact mass
417.2165
XLogP
3.28
TPSA
92.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
119.57
Supplementary Information
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