| CAS Number | 2137472-46-7 |
| Catalog Number | AG01EKQR |
| Chemical Name | 7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid |
| IUPAC Name | 7-(9H-fluoren-9-ylmethoxycarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid |
| InChI | InChI=1S/C22H20N4O4/c1-13-23-24-20-11-26(19(21(27)28)10-25(13)20)22(29)30-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,27,28) |
| InChI Key | REEFESJASHDRPY-UHFFFAOYSA-N |
| MDL Number | MFCD31615465 |
| Molecular Formula | C22H20N4O4 |
| Molecular Weight | 404.4186 |
| SMILES | CC1N2C(CN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)C(C(O)=O)C2)=NN=1 |
| Synonyms | 2137472-46-7,
7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid,
|
| Complexity | 654 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.426g/mol |
| Monoisotopic Mass | 404.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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