{3-[3-(1-Methoxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(thiomorpholin-4-yl)methanone

HCID 59606569
NotesReactions
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Basic information

Standard SMILES
COC1(c2noc(C3CC(c4ccc(CC(F)(F)F)cc4)CN(C(=O)N4CCSCC4)C3)n2)CC1
InChIKey
NKDFBDOCBOWRLW-UHFFFAOYSA-N
Molecular formula
C24H29F3N4O3S
Average molar mass
510.6 g/mol
Monoisotopic mass
510.19124646

Names & identifiers

Preferred name
{3-[3-(1-Methoxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(thiomorpholin-4-yl)methanone
IUPAC
[3-[3-(1-methoxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]-thiomorpholin-4-ylmethanone

Names & synonyms

{3-[3-(1-Methoxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(thiomorpholin-4-yl)methanoneSCHEMBL3761092

Database identifiers

PubChem CID
59606569

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
97 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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