| CAS Number | 1672691-74-5 |
| Catalog Number | AG01ENKY |
| Chemical Name | 4-(4-Morpholinyl)-1,2,5-thiadiazol-3-ylN-cyclooctyl-N-methylcarbamate |
| IUPAC Name | (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) N-cyclooctyl-N-methylcarbamate |
| InChI | InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3 |
| InChI Key | WKSHMJCYWFOADB-UHFFFAOYSA-N |
| MDL Number | MFCD28502436 |
| Molecular Formula | C16H26N4O3S |
| Molecular Weight | 354.4676 |
| SMILES | O=C(N(C)C1CCCCCCC1)OC2=NSN=C2N3CCOCC3 |
| Synonyms | 4-morpholino-1,2,5-thiadiazol-3-yl cyclooctyl(methyl)carbamate,
JZP-430,
1672691-74-5,
CHEMBL3613671,
JZP 430,
JZP-430,
AKOS027470302,
ZINC473127446,
SB18917,
4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl N-cyclooctyl-N-methylcarbamate,
4-(4-Morpholinyl)-1,2,5-thiadiazol-3-ylN-cyclooctyl-N-methylcarbamate,
WKSHMJCYWFOADB-UHFFFAOYSA-N,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.469g/mol |
| Monoisotopic Mass | 354.173g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number