Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)cc1- InChIKey
DMPAINJYHJDXAD-UHFFFAOYSA-N- Molecular formula
- C19H20N4O3S
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 3-{4-[2-(4-Nitro-phenoxy)-ethyl]-piperazin-1-YL}-1,2-benzisothiazole
- IUPAC
- 3-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]-1,2-benzothiazole
Names & synonyms
SCHEMBL6105860DMPAINJYHJDXAD-UHFFFAOYSA-N3-{4-[2-(4-NITRO-PHENOXY)-ETHYL]-PIPERAZIN-1-YL}-1,2-BENZISOTHIAZOLE
Database identifiers
- PubChem CID
- 21963311
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
Loading…