Basic information
- CAS
56701-29-2- Standard SMILES
COc1cc2c(cc1OC)C(CC(=O)N1CCCC1=O)=C(S(=O)(=O)N1CCCCC1)CC2- InChIKey
BVIQIFWPCVGWAR-UHFFFAOYSA-N- Molecular formula
- C23H30N2O6S
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.18245785
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-[[3,4-dihydro-6,7-dimethoxy-2-(1-piperidinylsulfonyl)-1-naphthalenyl]acetyl]-
- IUPAC
- 1-[2-(6,7-dimethoxy-2-piperidin-1-ylsulfonyl-3,4-dihydronaphthalen-1-yl)acetyl]pyrrolidin-2-one
- English name
- 1-[[3,4-Dihydro-6,7-dimethoxy-2-(1-piperidinylsulfonyl)naphthalen-1-yl]acetyl]pyrrolidin-2-one
- Molecular formula
- C23H30N2O6S
- Molecular weight
- 462.56
Names & synonyms
BVIQIFWPCVGWAR-UHFFFAOYSA-N2-Pyrrolidinone, 1-[[3,4-dihydro-6,7-dimethoxy-2-(1-piperidinylsulfonyl)-1-naphthalenyl]acetyl]-DB-3227231-([6,7-Dimethoxy-2-(1-piperidinylsulfonyl)-3,4-dihydro-1-naphthalenyl]acetyl)-2-pyrrolidinone #1-[[3,4-DIHYDRO-6,7-DIMETHOXY-2-(1-PIPERIDINYLSULFONYL)NAPHTHALEN-1-YL ]ACETYL ]PYRROLIDIN-2-ONE56701-29-21-[[3,4-Dihydro-6,7-dimethoxy-2-(1-piperidinylsulfonyl)naphthalen-1-yl]acetyl]pyrrolidin-2-one2-Pyrrolidinone, 1-[2-[3,4-dihydro-6,7-dimethoxy-2-(1-piperidinylsulfonyl)-1-naphthalenyl]acetyl]-
Database identifiers
- CAS
56701-29-2- PubChem CID
- 615361
- Nikkaji
- J114.481B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 858
Physicochemical properties
- Boiling point
- 649.8 · 649.8±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -1.46 · -1.46±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…