N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(diphenylmethyl)piperazine-1-carboxamide
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Basic information
- CAS
865659-76-3- Standard SMILES
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
NRFQWKKDMYKRJU-UHFFFAOYSA-N- Molecular formula
- C26H27N3O3
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.20524173
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(diphenylmethyl)piperazine-1-carboxamide
- IUPAC
- 4-benzhydryl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
- English name
- 4-BENZHYDRYL-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE
- Molecular formula
- C26H27N3O3
- Molecular weight
- 429.51
Names & synonyms
865659-76-3N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(diphenylmethyl)piperazine-1-carboxamide4-benzhydryl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide4-Benzhydryl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperazine-1-carboxamide4-benzhydryl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamideSTK470525AKOS003367909CS-03308093X-03101-Piperazinecarboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(diphenylmethyl)-
Database identifiers
- CAS
865659-76-3- PubChem CID
- 1474791
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 607.5 · 607.5±55.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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