1-(2,3-Dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
Basic information
- CAS
380190-68-1- Standard SMILES
Cn1ccnc1SCC(=O)N1CCc2ccccc21- InChIKey
DUDFYHSDBANYJX-UHFFFAOYSA-N- Molecular formula
- C14H15N3OS
- Average molar mass
- 273.36 g/mol
- Monoisotopic mass
- 273.09358328
Names & identifiers
- Preferred name
- 1-(2,3-Dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
- IUPAC
- 1-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone
Names & synonyms
380190-68-11-(2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one1-(2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-ethanoneEnamine_0017921-(2,3-dihydroindol-1-yl)-2-(1-methylimidazol-2-yl)sulfanylethanoneOprea1_356874Oprea1_647950MLS001123806CHEMBL1558789DTXSID001325156HMS1399B10HMS2983D03
Show more names
STL122425AKOS001018038SMR000665931Z184998891-(2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
Database identifiers
- CAS
380190-68-1- PubChem CID
- 736576
- DTXSID
DTXSID001325156- ChEMBL
CHEMBL1558789
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Solubility38.9 [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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