Basic information
- CAS
88048-34-4- Standard SMILES
Fc1ccc(N2CCN(CCc3c[nH]c4cc5c(cc34)OCO5)CC2)cc1- InChIKey
ZHOMMYSMUMQXCW-UHFFFAOYSA-N- Molecular formula
- C21H22FN3O2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.16960512
Names & identifiers
- Preferred name
- 7-{2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl}-2H,5H-[1,3]dioxolo[4,5-f]indole
- IUPAC
- 7-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole
Names & synonyms
88048-34-4DTXSID805212687-{2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl}-2H,5H-[1,3]dioxolo[4,5-f]indole
Database identifiers
- CAS
88048-34-4- PubChem CID
- 13141007
- DTXSID
DTXSID80521268
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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