Basic information
- CAS
825601-88-5- Standard SMILES
CCCN(CCC)CC(O)Cn1cc(C=CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21- InChIKey
WQHKZKBIANQYSM-UHFFFAOYSA-N- Molecular formula
- C28H36N2O4
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.26750763
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-3-[1-[3-(dipropylamino)-2-hydroxypropyl]indol-3-yl]prop-2-en-1-one
- IUPAC
- 1-(3,4-dimethoxyphenyl)-3-[1-[3-(dipropylamino)-2-hydroxypropyl]indol-3-yl]prop-2-en-1-one
- English name
- 1-(3,4-dimethoxyphenyl)-3-{1-[3-(dipropylamino)-2-hydroxypropyl]-1H-indol-3-yl}-2-propen-1-one
- Molecular formula
- C28H36N2O4
- Molecular weight
- 464.6
Names & synonyms
(2e)-1-(3,4-dimethoxyphenyl)-3-{1-[3-(dipropylamino)-2-hydroxypropyl]-1h-indol-3-yl}prop-2-en-1-one1-(3,4-dimethoxyphenyl)-3-{1-[3-(dipropylamino)-2-hydroxypropyl]-1H-indol-3-yl}-2-propen-1-one
Database identifiers
- CAS
825601-88-5- PubChem CID
- 57360244
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- Boiling point
- 467.137 · 467.137±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.098 · 1.098±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.613 · 14.613±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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