2-{3-[4-(4-Fluorophenyl)-1-piperazinyl]-2-methoxypropyl)naphtho[1,8-cd]isothiazole 1,1-dioxide
Basic information
- Standard SMILES
COC(CN1CCN(c2ccc(F)cc2)CC1)CN1c2cccc3cccc(c23)S1(=O)=O- InChIKey
JLMLAEADSXKZFT-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O3S
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.16789104
Names & identifiers
- Preferred name
- 2-{3-[4-(4-Fluorophenyl)-1-piperazinyl]-2-methoxypropyl)naphtho[1,8-cd]isothiazole 1,1-dioxide
- IUPAC
- 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methoxypropyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Names & synonyms
SCHEMBL9757182JLMLAEADSXKZFT-UHFFFAOYSA-NL0036022-(3-[4-(4-Fluoro phenyl)-1-p-iperazinyl]-2-methoxypropyl}naphtho[1,8cd]isothiazole 1,1-dioxide2-{3-[4-(4-Fluorophenyl)-1-piperazinyl]-2-methoxypropyl)naphtho[1,8-cd]isothiazole 1,1-dioxide
Database identifiers
- PubChem CID
- 14726795
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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