Basic information
- Standard SMILES
O=c1[nH]c2ccc(C3CCC(NCCCc4ccc(F)cc4)CC3)cc2s1- InChIKey
XKTMNBONJKNOHX-UHFFFAOYSA-N- Molecular formula
- C22H25FN2OS
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 6-{trans-4-[3-(4-fluorophenyl)propylamino]cyclohexyl}-3H-benzthiazol-2-one
- IUPAC
- 6-[4-[3-(4-fluorophenyl)propylamino]cyclohexyl]-3H-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL6190219SCHEMBL6190223XKTMNBONJKNOHX-RUCARUNLSA-N6-{trans-4-[3-(4-fluorophenyl)propylamino]cyclohexyl}-3H-benzthiazol-2-one6-{trans-4-[3-(4-fluorophenyl)-propylamino]cyclohexyl}-3H-benzthiazol-2-one
Database identifiers
- PubChem CID
- 22669145
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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