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Basic information
- Standard SMILES
COC[C@H](CCC(=O)N1CCC2(CC2)[C@H](O)C1)N1CCN(c2ccc(C(F)(F)F)c(Cl)c2)[C@@H](C)C1=O- InChIKey
HYNBQFSOQHASPC-DJPFJPOOSA-N- Molecular formula
- C25H33ClF3N3O4
- Average molar mass
- 532 g/mol
- Monoisotopic mass
- 531.2111687
Names & identifiers
- Preferred name
- (S)-4-(3-Chloro-4-trifluoromethyl-phenyl)-1-[(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-4-oxo-butyl]-3-methyl-piperazin-2-one
- IUPAC
- (3S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1-[(2S)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxy-5-oxopentan-2-yl]-3-methylpiperazin-2-one
Names & synonyms
(S)-4-(3-Chloro-4-trifluoromethyl-phenyl)-1-[(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-4-oxo-butyl]-3-methyl-piperazin-2-oneSCHEMBL1586894
Database identifiers
- PubChem CID
- 58232129
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 812
Related reactions
1 records
Compound notes
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