| CAS Number | 908568-01-4 |
| Catalog Number | AG01EPMN(AGN-PC-3H470H) |
| Chemical Name | 5,12b-dihydro-10-hydroxy-7,7-dimethyl-2-phenyl-1H,7H-[1]benzopyrano[4,3-c][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione |
| IUPAC Name | 5-hydroxy-9,9-dimethyl-15-phenyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione |
| InChI | InChI=1S/C21H19N3O4/c1-21(2)16-10-11-22-19(26)23(13-6-4-3-5-7-13)20(27)24(22)18(16)15-9-8-14(25)12-17(15)28-21/h3-10,12,18,25H,11H2,1-2H3 |
| InChI Key | VVOXDJYPDCSQMI-UHFFFAOYSA-N |
| MDL Number | MFCD30719253 |
| Molecular Formula | C21H19N3O4 |
| Molecular Weight | 377.3933 |
| SMILES | OC1=CC(OC(C)(C)C2=CCN(C(N(C3=CC=CC=C3)C4=O)=O)N4C25)=C5C=C1 |
| Synonyms | inflachromene,
Inflachromene,
908568-01-4,
CHEMBL1801580,
SCHEMBL17518099,
AOB6225,
AS-16939,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.4g/mol |
| Monoisotopic Mass | 377.138g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number