| CAS Number | 329198-87-0 |
| Catalog Number | AG01E461(AGN-PC-0WP1ZL) |
| Chemical Name | N-(3-Dibenzofuranyl)-5-nitro-2-furancarboxamide |
| IUPAC Name | N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide |
| InChI | InChI=1S/C17H10N2O5/c20-17(14-7-8-16(24-14)19(21)22)18-10-5-6-12-11-3-1-2-4-13(11)23-15(12)9-10/h1-9H,(H,18,20) |
| InChI Key | URUVDCCYSJEGQQ-UHFFFAOYSA-N |
| MDL Number | MFCD01146392 |
| Molecular Formula | C17H10N2O5 |
| Molecular Weight | 322.2717 |
| SMILES | O=C(C1=CC=C([N+]([O-])=O)O1)NC2=CC=C3C(OC4=CC=CC=C34)=C2 |
| Synonyms | 329198-87-0,
C-178,
5-Nitro-furan-2-carboxylic acid dibenzofuran-3-ylamide,
BAS 00738284,
STING inhibitor C-178,
AC1MF5S6,
Oprea1_355995,
Oprea1_671722,
ZINC4838645,
AKOS000544527,
MCULE-6315822200,
ST51004028,
N-dibenzofuran-3-yl-5-nitrofuran-2-carboxamide,
N-benzo[3,4-b]benzo[d]furan-3-yl(5-nitro(2-furyl))carboxamide,
CID2866412,
N-(3-Dibenzofuranyl)-5-nitro-2-furancarboxamide,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.276g/mol |
| Monoisotopic Mass | 322.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number