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

HCID 57988906

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(C(=O)N2CCOC3(CCN(Cc4cc(CCO)cc(F)c4F)CC3)C2)s1
InChIKey: SUUGAVLBTFIQLG-UHFFFAOYSA-N
Molecular formula: C23H28F2N2O3S
Average molar mass: 450.5 g/mol

Names & identifiers

Preferred name: (9-(2,3-Difluoro-5-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone
IUPAC: [9-[[2,3-difluoro-5-(2-hydroxyethyl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-methylthiophen-2-yl)methanone

Names & synonyms

SCHEMBL2139895SUUGAVLBTFIQLG-UHFFFAOYSA-N(9-(2,3-Difluoro-5-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone

Database identifiers

PubChem CID: 57988906

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 620

Related reactions

3 records

New reaction record

HRID 471035As productuspto-grants-2014_01

HRID 835156As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1689266As productuspto-grants-2012_04

Compound notes

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