3-fluoro-4-methoxy-N-(3-phenylsulfanylpropyl)benzamide
Basic information
- CAS
878919-90-5- Standard SMILES
COc1ccc(C(=O)NCCCSc2ccccc2)cc1F- InChIKey
VWMWAALTHGZGBX-UHFFFAOYSA-N- Molecular formula
- C17H18FNO2S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.10422815
Names & identifiers
- Preferred name
- 3-fluoro-4-methoxy-N-(3-phenylsulfanylpropyl)benzamide
- IUPAC
- 3-fluoro-4-methoxy-N-(3-phenylsulfanylpropyl)benzamide
Names & synonyms
MLS0011752293-fluoro-4-methoxy-N-(3-phenylsulfanylpropyl)benzamideCHEMBL1506755DTXSID101325854HMS2913L22AKOS001224355878919-90-5SMR000592137Z876585033-fluoro-4-methoxy-N-[3-(phenylsulfanyl)propyl]benzamide
Database identifiers
- CAS
878919-90-5- PubChem CID
- 9502501
- DTXSID
DTXSID101325854- ChEMBL
CHEMBL1506755
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Solubility2.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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