ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
Basic information
- CAS
735292-22-5- Standard SMILES
CCOC(=O)NC(=O)CSc1ccc2ccccc2n1- InChIKey
CUAJLIXPDPLUQQ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
- IUPAC
- ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
Names & synonyms
ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamateMLS000517442CHEMBL1349662DTXSID101331641HMS2694E21STL443941AKOS026751403735292-22-5SMR000343510ethyl [(quinolin-2-ylsulfanyl)acetyl]carbamateEthyl {[(quinolin-2-yl)sulfanyl]acetyl}carbamateZ19646930
Database identifiers
- CAS
735292-22-5- PubChem CID
- 2394340
- DTXSID
DTXSID101331641- ChEMBL
CHEMBL1349662
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Solubility42.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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