Name: 3-{4-[(3-hydroxycyclohexyl)oxy]phenyl}-2-methyl-5-{[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
SMILES:
CCCc1nc(C)n(-c2ccc(OC3CCCC(O)C3)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1Molecular Processing
Molecular formula
C35H36N4O5
Molecular weight
592.7
Exact mass
592.2686
XLogP
5.78
TPSA
123.24
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
168.26
Supplementary Information
Details werden geladen…
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