13-(1-Ethoxyethenyl)-12-fluoro-4-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-9-oxa-3,6-diazatricyclo[8.4.0.02,6]tetradeca1(14),2,4,10,12-pentaene
Basic information
- Standard SMILES
C=C(OCC)c1cc2c(cc1F)OCCn1cc(-c3nc(C)nn3C(C)C)nc1-2- InChIKey
SGGDIQXLJZNSGL-UHFFFAOYSA-N- Molecular formula
- C21H24FN5O2
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 13-(1-Ethoxyethenyl)-12-fluoro-4-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-9-oxa-3,6-diazatricyclo[8.4.0.02,6]tetradeca1(14),2,4,10,12-pentaene
- IUPAC
- 10-(1-ethoxyethenyl)-9-fluoro-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Names & synonyms
SCHEMBL12539429SGGDIQXLJZNSGL-UHFFFAOYSA-N13-(1-Ethoxyethenyl)-12-fluoro-4-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-9-oxa-3,6-diazatricyclo[8.4.0.02,6]tetradeca1(14),2,4,10,12-pentaene
Database identifiers
- PubChem CID
- 68313014
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
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Related reactions
2 records
Compound notes
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