| CAS Number | 335620-96-7 |
| Catalog Number | AG019ELR(AGN-PC-0R93C8) |
| Chemical Name | 3-(benzenesulfonyl)-7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane |
| EC Number | 921-652-0 |
| IUPAC Name | 3-(benzenesulfonyl)-7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane |
| InChI | InChI=1S/C19H22N2O3S/c22-25(23,19-9-5-2-6-10-19)21-14-17-12-20(13-18(15-21)24-17)11-16-7-3-1-4-8-16/h1-10,17-18H,11-15H2 |
| InChI Key | ZDOBEODZHJDKSC-UHFFFAOYSA-N |
| MDL Number | MFCD24873315 |
| Molecular Formula | C19H22N2O3S |
| Molecular Weight | 358.4546 |
| SMILES | O=S(=O)(N1CC2CN(Cc3ccccc3)CC(C1)O2)c1ccccc1 |
| Synonyms | 3-benzyl-7-(phenylsulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane,
335620-96-7,
SCHEMBL1619341,
ZDOBEODZHJDKSC-UHFFFAOYSA-N,
MFCD24873315,
CS-0039056,
7-Benzyl-3-phenylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane,
3-(BENZENESULFONYL)-7-BENZYL-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE,
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| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.456g/mol |
| Monoisotopic Mass | 358.135g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number