4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-chromene-2-carboxamide
Basic information
- CAS
880792-50-7- Standard SMILES
CCCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1- InChIKey
RFEGKAVABNLRHW-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3S2
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-chromene-2-carboxamide
- IUPAC
- 4-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
- English name
- 4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-chromene-2-carboxamide
- Molecular formula
- C15H13N3O3S2
- Molecular weight
- 347.41
Names & synonyms
4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-chromene-2-carboxamide880792-50-7CHEMBL1437557HMS1845B14CCG-75459STK849894STK910170AKOS001899218AKOS005628785NCGC00115870-01NCGC00115870-02AB01310624-01
Show more names
4H-1-Benzopyran-2-carboxamide, 4-oxo-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-
D103-2351Z12136713184-oxo-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)-4H-chromene-2-carboxamide4-oxo-N-[(2E)-5-(propylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Database identifiers
- CAS
880792-50-7- ChEMBL
CHEMBL1437557
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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