| CAS Number | 1443138-53-1 |
| Catalog Number | AG01EOS5(AGN-PC-3H46IA) |
| Chemical Name | 1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran] |
| IUPAC Name | 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] |
| InChI | InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2 |
| InChI Key | NCRPMBWORFWNGT-UHFFFAOYSA-N |
| MDL Number | MFCD28160555 |
| Molecular Formula | C20H23NO3S |
| Molecular Weight | 357.4665 |
| SMILES | O1C2=C(OCC1)C=C(C=C2)CN2CCC1(OCCC3=C1C=CS3)CC2 |
| Synonyms | GSK2200150A,
1443138-53-1,
CHEMBL2098175,
TCMDC-142379,
ZINC84687678,
HY-112091,
CS-0043319,
1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine],
NCRPMBWORFWNGT-UHFFFAOYSA-N,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.468g/mol |
| Monoisotopic Mass | 357.14g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number