名称: N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyri din-1-yl)piperidine-1-carboxamide
SMILES:
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1Molecular Processing
Molecular formula
C26H27F5N6O3
Molecular weight
566.53
Exact mass
566.2065
XLogP
3.69
TPSA
103.33
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
133.49
Supplementary Information
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