名称: (2S,3R)-allyl 2-(((5-chlorobenzo[d]oxazol-2-yl)amino)methyl)-3-methylpiperidine-1-carboxylate
SMILES:
C=CCOC(=O)N1CCC[C@@H](C)[C@H]1CNc1nc2cc(Cl)ccc2o1Molecular Processing
Molecular formula
C18H22ClN3O3
Molecular weight
363.85
Exact mass
363.135
XLogP
4.32
TPSA
67.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
97.95
Supplementary Information
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