| CAS Number | 1314873-02-3 |
| Catalog Number | AG01EOIL(AGN-PC-3H46E6) |
| Chemical Name | BPO-27 racemate |
| IUPAC Name | 9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid |
| InChI | InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33) |
| InChI Key | GNHIGSRGYXEQEP-UHFFFAOYSA-N |
| MDL Number | MFCD30532675 |
| Molecular Formula | C26H18BrN3O6 |
| Molecular Weight | 548.3416 |
| SMILES | O1C2=CC=C(C(O)=O)C=C2N2C(C3=CC=CC=C3)=C3C(=O)N(C)C(=O)N(C)C3=C2C1C1=CC=C(Br)O1 |
| Synonyms | (R)-BPO-27,
BPO-27 (racemate),
CHEMBL1831075,
1314873-02-3,
(R)-BPO-27,
1415390-47-4,
BPO-27 racemat,
SCHEMBL14233234,
BDBM50353351,
HY-19778A,
CS-6271,
BPO-27 racemate,
|
| Complexity | 914 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 547.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 548.349g/mol |
| Monoisotopic Mass | 547.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number