名称: 3-hydroxy-4-methoxy-N-((3S,7R,8R,9S)-9-methyl-7-(4-methylbenzyl)-2-oxo-8-(4,4,4-trifluorobutoxyl)oxonan-3-yl)picolinamide
SMILES:
COc1ccnc(C(=O)N[C@H]2CCC[C@H](Cc3ccc(C)cc3)[C@@H](OCCCC(F)(F)F)[C@H](C)OC2=O)c1OMolecular Processing
Molecular formula
C28H35F3N2O6
Molecular weight
552.59
Exact mass
552.2447
XLogP
4.9
TPSA
106.98
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
136.51
Supplementary Information
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