Nombre: 2-(n-butyl)-3-[[2′-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES:
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C25H27N3O
Molecular weight
385.51
Exact mass
385.2154
XLogP
5.47
TPSA
56.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
115.3
Supplementary Information
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