Nom: 1-tert-butyl 3-methyl(2S,3S,5S)-5-[(5-chloropyridin-3-yl)oxy]-2-[4-(4-cyano-3,5-dimethylphenyl)-3,6-dihydropyridin-1 (2H)-yl]carbonylpiperidine-1,3-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@H](Oc2cncc(Cl)c2)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC=C(c2cc(C)c(C#N)c(C)c2)CC1Molecular Processing
Molecular formula
C32H37ClN4O6
Molecular weight
609.12
Exact mass
608.2402
XLogP
5.09
TPSA
122.06
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.469
Molar refractivity
160.32
Supplementary Information
Récupération des détails…
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