Basic information
- Standard SMILES
CCc1cc(C(=O)N2CCOC3(CCN(Cc4cc(F)cc(CCO)c4)CC3)C2)cs1- InChIKey
NLXUCWKSECRSOZ-UHFFFAOYSA-N- Molecular formula
- C24H31FN2O3S
- Average molar mass
- 446.6 g/mol
Names & identifiers
- Preferred name
- (5-Ethylthiophen-3-yl)(9-(3-fluoro-5-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
- IUPAC
- (5-ethylthiophen-3-yl)-[9-[[3-fluoro-5-(2-hydroxyethyl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
Names & synonyms
SCHEMBL2138377NLXUCWKSECRSOZ-UHFFFAOYSA-N(5-Ethylthiophen-3-yl)(9-(3-fluoro-5-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
Database identifiers
- PubChem CID
- 57989062
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
- Formal charge
- 0
- Complexity
- 601
Related reactions
3 records
Compound notes
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