Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(phenylacetyl)-, 1-oxide, (1-alpha,4a-beta,7a-beta)-(+-)-
Basic information
- CAS
146862-51-3- Standard SMILES
O=C(CN1CC2C(C1)C(c1ccccc1)(c1ccccc1)CCS2=O)c1ccccc1- InChIKey
PHVTXYKPNZSAQQ-UHFFFAOYSA-N- Molecular formula
- C27H27NO2S
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.17625028
Names & identifiers
- Preferred name
- Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(phenylacetyl)-, 1-oxide, (1-alpha,4a-beta,7a-beta)-(+-)-
- IUPAC
- 2-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)-1-phenylethanone
- English name
- 2-(2-oxo-5,5-diphenyl-2$l^{4}-thia-8-azabicyclo[4.3.0]non-8-yl)-1-phen yl-ethanone
- Molecular formula
- C27H27NO2S
- Molecular weight
- 429.57
Names & synonyms
146862-51-3Diphenyl-4,4 phenylacetyl-6 oxyde-1 perhydrothiopyrano(2,3-c)pyrrole-(1RS,4aSR,7aSR) [French]Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(phenylacetyl)-, 1-oxide, (1-alpha,4a-beta,7a-beta)-(+-)-Diphenyl-4,4 phenylacetyl-6 oxyde-1 perhydrothiopyrano(2,3-c)pyrrole-(1RS,4aSR,7aSR)RefChem:3853662-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)-1-phenylethanoneDTXSID309329466-(2-Oxo-2-phenylethyl)-4,4-diphenyloctahydro-1H-1lambda~4~-thiopyrano[2,3-c]pyrrol-1-one2-(2-oxo-5,5-diphenyl-2$l^{4}-thia-8-azabicyclo[4.3.0]non-8-yl)-1-phen yl-ethanoneThiopyrano[2,3-c]pyrrole, octahydro-4,4-diphenyl-6-(phenylacetyl)-, 1-oxide, (1α,4aβ,7aβ)- (9CI)
Database identifiers
- CAS
146862-51-3- PubChem CID
- 3073161
- DTXSID
DTXSID30932946
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Boiling point
- 673.8 · 673.8±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -0.61 · -0.61±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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