Name: 5-(2-methyl-3-pyridinyl)-1-(4-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}butyl)-2,4(1H,3H)-pyrimidinedione
SMILES:
Cc1ncccc1-c1cn(CCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C26H27F3N4O2
Molecular weight
484.52
Exact mass
484.2086
XLogP
3.98
TPSA
70.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
126.19
Supplementary Information
Details werden geladen…
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