| CAS Number | 2007921-04-0 |
| Catalog Number | AG01DFYQ |
| Chemical Name | tert-butyl 3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate |
| IUPAC Name | tert-butyl 3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate |
| InChI | InChI=1S/C19H25N3O5/c1-18(2,3)27-17(25)21-10-9-19(12-21)15(23)22(16(24)20-19)11-13-5-7-14(26-4)8-6-13/h5-8H,9-12H2,1-4H3,(H,20,24) |
| InChI Key | JPWRHCIRRAIIJN-UHFFFAOYSA-N |
| MDL Number | MFCD28992223 |
| Molecular Formula | C19H25N3O5 |
| Molecular Weight | 375.4189 |
| SMILES | COc1ccc(CN2C(=O)NC3(CCN(C3)C(=O)OC(C)(C)C)C2=O)cc1 |
| Synonyms | TERT-BUTYL 3-(4-METHOXYBENZYL)-2,4-DIOXO-1,3,7-TRIAZASPIRO[4.4]NONANE-7-CARBOXYLATE,
2007921-04-0,
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| Complexity | 609 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.425g/mol |
| Monoisotopic Mass | 375.179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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