Basic information
- CAS
21484-50-4- Standard SMILES
COc1ccc(-n2nc(CC(=S)N3CCOCC3)c3c2CCC3)cc1- InChIKey
PSLKIKDJDRZBQA-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2S
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.15109816
Names & identifiers
- Preferred name
- Poli 66
- IUPAC
- 2-[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1-morpholin-4-ylethanethione
Names & synonyms
Poli 6621484-50-4BRN 1037017DTXSID901757764-((1,4,5,6-Tetrahydro-1-(p-methoxyphenyl)-3-cyclopentapyrazolyl)thioacetyl)morpholineMorpholine, 4-((1,4,5,6-tetrahydro-1-(p-methoxyphenyl)-3-cyclopentapyrazolyl)thioacetyl)-RefChem:373633DTXCID00982672-[1-(4-Methoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]-1-(morpholin-4-yl)ethane-1-thione
Database identifiers
- CAS
21484-50-4- PubChem CID
- 210669
- DTXSID
DTXSID90175776
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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