Ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
Basic information
- CAS
374104-18-4- Standard SMILES
CCOC(=O)CSc1nc(C)c2cccc(C)c2n1- InChIKey
IRYOFRAXAIMIPP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
- Monoisotopic mass
- 276.09324893
Names & identifiers
- Preferred name
- Ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
- IUPAC
- ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
Names & synonyms
ethyl [(4,8-dimethylquinazolin-2-yl)sulfanyl]acetateethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate374104-18-4MLS000768073CHEMBL1589012DTXSID401331626HMS2776C14STK508705AKOS005454697NCGC00279399-01SMR000431375AB00645403-06
Show more names
ethyl 2-((4,8-dimethylquinazolin-2-yl)thio)acetate(4,8-Dimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
Database identifiers
- CAS
374104-18-4- PubChem CID
- 916352
- DTXSID
DTXSID401331626- ChEMBL
CHEMBL1589012
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
Solubility30.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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