4-[2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
Basic information
- CAS
712295-69-7- Standard SMILES
Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1- InChIKey
OHUWHUWAHCTAOX-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.04016799
Names & identifiers
- Preferred name
- 4-[2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
- IUPAC
- 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
Names & synonyms
4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-oneMLS000517444CHEMBL1428064DTXSID101329175HMS2683E15AKOS017022379712295-69-7SMR000343530ST51032024SR-01000049517SR-01000049517-1Z25102936
Show more names
4-[2-(5-methyl-1,3,4-thiadiazol-2-ylthio)acetyl]-1,3,4-trihydroquinoxalin-2-on e4-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
Database identifiers
- CAS
712295-69-7- PubChem CID
- 2394470
- DTXSID
DTXSID101329175- ChEMBL
CHEMBL1428064
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility43.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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