2-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Basic information
- CAS
309735-02-2- Standard SMILES
NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1- InChIKey
YDBVZFJPQALRCU-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.0884979
Names & identifiers
- Preferred name
- 2-(3-Benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
- IUPAC
- 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Names & synonyms
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide309735-02-22-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamideCambridge id 6861259TimTec1_002809Oprea1_331367Oprea1_481996MLS001211439CHEMBL1869183DTXSID601327774HMS1541P15HMS2835J03
Show more names
2-(3-Benzyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamideSTK465252AKOS000641190NCGC00173722-01SMR000518802ST037214EU-0052533SR-01000529594
Database identifiers
- CAS
309735-02-2- PubChem CID
- 723033
- DTXSID
DTXSID601327774- ChEMBL
CHEMBL1869183- Nikkaji
- J1.914.680D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Solubility2.5 [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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