Basic information
- Standard SMILES
COC(=O)C(CC(C)C)NC(=O)c1cnc(N2CCC(F)(F)CC2)c(OCC2CCCC2)n1- InChIKey
PEUNHNFMTFUMEI-UHFFFAOYSA-N- Molecular formula
- C23H34F2N4O4
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.2548119
Names & identifiers
- Preferred name
- Methyl 2-[[6-(cyclopentylmethoxy)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carbonyl]amino]-4-methylpentanoate
- IUPAC
- methyl 2-[[6-(cyclopentylmethoxy)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carbonyl]amino]-4-methylpentanoate
Names & synonyms
SCHEMBL3251946
Database identifiers
- PubChem CID
- 68567475
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
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