الاسم: saxagliptin
SMILES:
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C18H25N3O2
Molecular weight
315.42
Exact mass
315.1947
XLogP
1.16
TPSA
90.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
6
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
82.8
Supplementary Information
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