Name: 4-(1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
SMILES:
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2ncnn12Molecular Processing
Molecular formula
C31H32N6O5
Molecular weight
568.63
Exact mass
568.2434
XLogP
4.3
TPSA
129.54
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
154.18
Supplementary Information
Details werden geladen…
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