N'-(2-Fluorophenyl)-N-methyl-N-[1-(methylsulfanyl)dodecyl]urea
Basic information
- CAS
89135-94-4- Standard SMILES
CCCCCCCCCCCC(SC)N(C)C(=O)Nc1ccccc1F- InChIKey
SHCFRTSAQOCTAH-UHFFFAOYSA-N- Molecular formula
- C21H35FN2OS
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.24541308
Names & identifiers
- Preferred name
- N'-(2-Fluorophenyl)-N-methyl-N-[1-(methylsulfanyl)dodecyl]urea
- IUPAC
- 3-(2-fluorophenyl)-1-methyl-1-(1-methylsulfanyldodecyl)urea
Names & synonyms
89135-94-4DTXSID30537612N'-(2-Fluorophenyl)-N-methyl-N-[1-(methylsulfanyl)dodecyl]urea
Database identifiers
- CAS
89135-94-4- PubChem CID
- 13344444
- DTXSID
DTXSID30537612
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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