Name: ((R)-3-Amino-piperidin-1-yl)-[5-(4-methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophen-2-yl]-methanone, hydrochloride
SMILES:
Cc1c(-c2ccc(C(=O)N3CCC[C@@H](N)C3)s2)noc1C(F)(F)F.ClMolecular Processing
Molecular formula
C15H17ClF3N3O2S
Molecular weight
395.83
Exact mass
395.0682
XLogP
3.72
TPSA
72.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
89.92
Supplementary Information
Details werden geladen…
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