| CAS Number | 1797646-46-8 |
| Catalog Number | AG01A6LJ |
| Chemical Name | ethyl 2-(7-{[(tert-butoxy)carbonyl]amino}-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetate |
| IUPAC Name | ethyl 2-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate |
| InChI | InChI=1S/C16H25N3O4/c1-5-22-13(20)10-19-9-11-7-6-8-12(14(11)18-19)17-15(21)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,17,21) |
| InChI Key | UMEOPOHZSQSYGE-UHFFFAOYSA-N |
| MDL Number | MFCD07383527 |
| Molecular Formula | C16H25N3O4 |
| Molecular Weight | 323.3874 |
| SMILES | CCOC(CN1N=C2C(CCCC2NC(OC(C)(C)C)=O)=C1)=O |
| Synonyms | ethyl 2-(7-{[(tert-butoxy)carbonyl]amino}-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetate,
1797646-46-8,
AKOS033575494,
MCULE-9174639125,
Z1742055056,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.393g/mol |
| Monoisotopic Mass | 323.185g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 82.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number