3-[[4-[(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=c1ccc2ncc(=O)n3c2n1CC3CN1CCC(NCc2ccc3c(c2F)OCCO3)CC1- InChIKey
XIZMQMZFYXGFKF-UHFFFAOYSA-N- Molecular formula
- C24H26FN5O4
- Average molar mass
- 467.5 g/mol
Names & identifiers
- Preferred name
- 3-[[4-[(5-Fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
- IUPAC
- 3-[[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Names & synonyms
SCHEMBL21372287
Database identifiers
- PubChem CID
- 77529005
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 930
Related reactions
1 records
Compound notes
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