N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine
Basic information
- CAS
656816-08-9- Standard SMILES
O=C(O)CNC(=S)N(Cc1ccccc1)Cc1ccccc1F- InChIKey
JLOGSDADAQGUGE-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O2S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.09947712
Names & identifiers
- Preferred name
- N-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycine
- IUPAC
- 2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetic acid
Names & synonyms
656816-08-9N-[[[(2-Fluorophenyl)methyl](phenylmethyl)amino]thioxomethyl]glycineN-((((2-Fluorophenyl)methyl)(phenylmethyl)amino)thioxomethyl)glycineRefChem:359470N-{[benzyl(2-fluorobenzyl)amino]carbonothioyl}glycineN-{Benzyl[(2-fluorophenyl)methyl]carbamothioyl}glycineMLS000673522CHEMBL1299414DTXSID501159877HMS2674P092-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetic acidAKOS002130452
Show more names
SMR000314763SR-01000580496SR-01000580496-1({[benzyl(2-fluorobenzyl)amino]carbonothioyl}amino)acetic acid
Database identifiers
- CAS
656816-08-9- PubChem CID
- 4661982
- DTXSID
DTXSID501159877- ChEMBL
CHEMBL1299414
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
Solubility47.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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