CC(C)(C)OC(=O)N1CCC(O)(c2cc(C(F)(F)F)ccc2Sc2ccc(Cl)cc2)CC1
이름: tert-butyl 4-[2-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(O)(c2cc(C(F)(F)F)ccc2Sc2ccc(Cl)cc2)CC1

Molecular Processing

Molecular formula
C23H25ClF3NO3S
Molecular weight
487.97
Exact mass
487.1196
XLogP
6.73
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
117.96

Supplementary Information

InChIKey: FXKLOTZORLHFGU-UHFFFAOYSA-N
동의어
1-tert-butoxycarbonyl-4-[2-(4-chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine-4-olSCHEMBL35460281-tert-Butoxycarbonyl-4-[2-(4-chlorophenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine-4-ol
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