Basic information
- CAS
317833-17-3- Standard SMILES
O=C(c1cccs1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21- InChIKey
OYQUETXCQXMWSO-SCLBCKFNSA-N- Molecular formula
- C19H15NO3S
- Average molar mass
- 337.4 g/mol
Names & identifiers
- Preferred name
- 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl(2-thienyl)methanone
- IUPAC
- [(13S,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl]-thiophen-2-ylmethanone
- English name
- 3a,11c-Dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl(2-thienyl)methanone
- Molecular formula
- C19H15NO3S
- Molecular weight
- 337.39
Names & synonyms
317833-17-33a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl(2-thienyl)methanone[(13S,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl]-thiophen-2-ylmethanone(13S,17R)-16-(thiophene-2-carbonyl)-11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaeneOprea1_339783AKOS0050877103G-920Methanone, [(3aR,11cS)-3a,11c-dihydro-3H-naphtho[1',2':5,6]pyrano[4,3-c]isoxazol-1(4H)-yl]-2-thienyl-, rel-
Database identifiers
- CAS
317833-17-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 564.4 · 564.4±50.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- -2.52 · -2.52±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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