CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2F)N3CCCCC3
이름: [(1S)-1-phenylethyl] (2R)-2-(2-fluorophenyl)-2-piperidin-1-ylacetate
SMILES: CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2F)N3CCCCC3

Molecular Processing

Molecular formula
C21H24FNO2
Molecular weight
341.43
Exact mass
341.1791
XLogP
4.66
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
95.51

Supplementary Information

InChIKey: FCCGCNDUVPFVKZ-OXJNMPFZSA-N
동의어
SCHEMBL304010FCCGCNDUVPFVKZ-OXJNMPFZSA-N(R)-((S)-1-Phenylethyl) 2-(2-fluorophenyl)-2-(piperidin-1-yl)acetate(R)-((S)-1-phenylethyl)2-(2-fluorophenyl)-2-(piperidin-1-yl)acetate
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