2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
Basic information
- CAS
851797-98-3- Standard SMILES
CCc1nnc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)s1- InChIKey
XYCXDDNPXGLJCB-UHFFFAOYSA-N- Molecular formula
- C17H19N5OS
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.13103142
Names & identifiers
- Preferred name
- 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
- IUPAC
- 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
Names & synonyms
2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamideMLS001006293CHEMBL1465597DTXSID801330432HMS2692F05AKOS033977156851797-98-3SMR000384272Z26823904
Database identifiers
- CAS
851797-98-3- PubChem CID
- 4884038
- DTXSID
DTXSID801330432- ChEMBL
CHEMBL1465597
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…