Name: 1-tert-butyl 3-methyl (2S,3S,5R)-2-[4-(4-cyano-3,5-dimethylphenyl)-3,6-dihydropyridin-1(2H)-yl]carbonyl-5-hydroxypiperidine-1,3-dicarboxylate
SMILES:
COC(=O)[C@H]1C[C@@H](O)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
C27H35N3O6
Molecular weight
497.59
Exact mass
497.2526
XLogP
2.95
TPSA
120.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
36
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
132.66
Supplementary Information
Details werden geladen…
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