Basic information
- Standard SMILES
COc1ccc2ncc(F)c(CCN3CC[C@@H](CNC(=O)OCc4ccccc4)C3)c2n1- InChIKey
VFRGHLITWRETKJ-SFHVURJKSA-N- Molecular formula
- C24H27FN4O3
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- phenylmethyl[((3S)-1-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]carbamate
- IUPAC
- benzyl N-[[(3S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
Names & synonyms
SCHEMBL13382266VFRGHLITWRETKJ-SFHVURJKSA-Nphenylmethyl[((3S)-1-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]carbamate
Database identifiers
- PubChem CID
- 59026091
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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