5-[[1-[2-(2,5-Dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
Basic information
- CAS
6381-33-5- Standard SMILES
Cc1ccc(C)c(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c1- InChIKey
VPJWDOMMZJSSDG-UHFFFAOYSA-N- Molecular formula
- C23H21N3O4
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.15320616
Names & identifiers
- Preferred name
- 5-[[1-[2-(2,5-Dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 8-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octane-3-ethanol
- Molecular formula
- C23H28ClN3OS
- Molecular weight
- 430.01
Names & synonyms
6381-33-5STK0746268-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octane-3-ethanol5-({1-[2-(2,5-DIMETHYLPHENOXY)ETHYL]-1H-INDOL-3-YL}METHYLIDENE)-1,3-DIAZINANE-2,4,6-TRIONE5-[[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trioneDTXSID30367618AKOS0016706725-({1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione5-({1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
Database identifiers
- CAS
6381-33-5- PubChem CID
- 2278434
- DTXSID
DTXSID30367618
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- Boiling point
- 604.4 · 604.4±55.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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