N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
Basic information
- CAS
892856-71-2- Standard SMILES
O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccco1- InChIKey
GLLWHIMOHBWLKF-UHFFFAOYSA-N- Molecular formula
- C13H8N2O4S
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.02047791
Names & identifiers
- Preferred name
- N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
- IUPAC
- N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
Names & synonyms
892856-71-2N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamideMLS000419584SMR000320301N-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)furan-2-carboxamideN-{4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}furan-2-carboxamideCHEMBL1309142BDBM32934cid_7202802DTXSID301330318HMS2754P10AKOS024611932
Show more names
F1822-0212N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-furamideN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-furancarboxamideN-(2H-[1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
Database identifiers
- CAS
892856-71-2- PubChem CID
- 7202802
- DTXSID
DTXSID301330318- ChEMBL
CHEMBL1309142
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Solubility1 [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…