N-(2,6-difluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Basic information
- CAS
391256-03-4- Standard SMILES
Cc1ccc2nc(SCC(=O)Nc3c(F)cccc3F)[nH]c2c1- InChIKey
HBBOBKQBXPXSBR-UHFFFAOYSA-N- Molecular formula
- C16H13F2N3OS
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.07473954
Names & identifiers
- Preferred name
- N-(2,6-difluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
- IUPAC
- N-(2,6-difluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Names & synonyms
N-(2,6-difluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamideOprea1_383348MLS001007379CHEMBL1426730DTXSID501327276HMS2688E03AKOS002475758391256-03-4SMR000384630Z18443823
Database identifiers
- CAS
391256-03-4- PubChem CID
- 4885360
- DTXSID
DTXSID501327276- ChEMBL
CHEMBL1426730
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
Solubility43.4 [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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