| CAS Number | 1201916-31-5 |
| Catalog Number | AG000QJR(AGN-PC-079GIG) |
| Chemical Name | 6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)- |
| IUPAC Name | N-hydroxy-2-oxo-3-(3-phenylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-6-carboxamide |
| InChI | InChI=1S/C18H25N3O3/c22-17(21-24)13-9-10-14-16(11-13)19-15(18(23)20-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-16,19,24H,4,7-11H2,(H,20,23)(H,21,22) |
| InChI Key | CSPOZLMUZAZKQV-UHFFFAOYSA-N |
| MDL Number | MFCD16652279 |
| Molecular Formula | C18H17N3O3 |
| Molecular Weight | 323.3459 |
| SMILES | ONC(=O)C=1C=C2N=C(C(NC2=CC1)=O)CCCC1=CC=CC=C1 |
| Synonyms | 1201916-31-5,
6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-,
TCS 2210,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.416g/mol |
| Monoisotopic Mass | 331.19g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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