1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-o-tolyl-urea

HCID 21963501
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Basic information

Standard SMILES
Cc1ccccc1NC(=O)Nc1ccc(F)cc1CCN1CCN(c2nsc3ccccc23)CC1
InChIKey
FDFQZFFEZUDZQQ-UHFFFAOYSA-N
Molecular formula
C27H28FN5OS
Average molar mass
489.6 g/mol

Names & identifiers

Preferred name
1-{2-[2-(4-1,2-Benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-o-tolyl-urea
IUPAC
1-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-fluorophenyl]-3-(2-methylphenyl)urea

Names & synonyms

SCHEMBL6105875FDFQZFFEZUDZQQ-UHFFFAOYSA-N1-{2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-3-o-tolyl-urea

Database identifiers

PubChem CID
21963501

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
88.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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