Basic information
- Standard SMILES
O=C(Nc1ccccc1Cl)Nc1ccc(F)cc1CCN1CCN(c2nsc3ccccc23)CC1- InChIKey
PLHANPYOTFUXEN-UHFFFAOYSA-N- Molecular formula
- C26H25ClFN5OS
- Average molar mass
- 510 g/mol
Names & identifiers
- Preferred name
- 1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea
- IUPAC
- 1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-fluorophenyl]-3-(2-chlorophenyl)urea
Names & synonyms
SCHEMBL6107149PLHANPYOTFUXEN-UHFFFAOYSA-N1-{2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-(2-chloro-phenyl)-urea
Database identifiers
- PubChem CID
- 21963354
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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