(5-Ethylthiophen-3-yl)(9-(2-fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

HCID 57989341
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc(C(=O)N2CCOC3(CCN(Cc4cccc(CCO)c4F)CC3)C2)cs1
InChIKey
CICRZFOURCCWBE-UHFFFAOYSA-N
Molecular formula
C24H31FN2O3S
Average molar mass
446.6 g/mol
Monoisotopic mass
446.20394219

Names & identifiers

Preferred name
(5-Ethylthiophen-3-yl)(9-(2-fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
IUPAC
(5-ethylthiophen-3-yl)-[9-[[2-fluoro-3-(2-hydroxyethyl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

Names & synonyms

SCHEMBL2139817CICRZFOURCCWBE-UHFFFAOYSA-N(5-Ethylthiophen-3-yl)(9-(2-fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Database identifiers

PubChem CID
57989341

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
81.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

Loading…