| CAS Number | 1251001-25-8 |
| Catalog Number | AG00HHZ4(AGN-PC-0WG4IW) |
| Chemical Name | TERT-BUTYL 2-OXO-2,3-DIHYDRO-1H-SPIRO[BENZO[E][1,4]OXAZEPINE-5,4'-PIPERIDINE]-1'-CARBOXYLATE |
| IUPAC Name | tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H24N2O4/c1-17(2,3)24-16(22)20-10-8-18(9-11-20)13-6-4-5-7-14(13)19-15(21)12-23-18/h4-7H,8-12H2,1-3H3,(H,19,21) |
| InChI Key | DGKHHKBWOLBQDP-UHFFFAOYSA-N |
| MDL Number | MFCD14581277 |
| Molecular Formula | C18H24N2O4 |
| Molecular Weight | 332.3942 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)OCC(=O)Nc1ccccc21 |
| Synonyms | 1251001-25-8,
tert-Butyl 2-oxo-2,3-dihydro-1H-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate,
Tert-Butyl 2-Oxo-2,3-Dihydro-1H-Spiro[Benzo[E][1,4]Oxazepine-5,4-Piperidine]-1-Carboxylate,
MFCD14581277,
ZINC91302875,
AM804852,
CS-0037796,
t-Butyl 2-oxo-2,3-dihydro-1H-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate,
tert-butyl2-oxo-2,3-dihydro-1H-spiro[benzo[e][1,4]oxazepine-5,4'-piperidine]-1'-carboxylate,
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| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.4g/mol |
| Monoisotopic Mass | 332.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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