Basic information
- Standard SMILES
CCCCCc1c2c(nc3cc(F)ccc13)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC- InChIKey
JENLCWZPJKHXHU-AREMUKBSSA-N- Molecular formula
- C26H27FN2O4
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.19548551
Names & identifiers
- Preferred name
- (5R)-5-ethyl-9-fluoro-5-hydroxy-12-pentyl-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione
- IUPAC
- (20R)-20-ethyl-6-fluoro-20-hydroxy-10-pentyl-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
Names & synonyms
SCHEMBL5859887JENLCWZPJKHXHU-AREMUKBSSA-N(5R)-5-ethyl-9-fluoro-5-hydroxy-12-pentyl-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione
Database identifiers
- PubChem CID
- 69591007
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 886
Related reactions
3 records
Compound notes
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