Basic information
- CAS
13082-24-1- Standard SMILES
CC(CN1c2ccccc2Sc2ccc(C(=O)CN3CCOCC3)cc21)N(C)C- InChIKey
WLZQYAHCMAYIJT-UHFFFAOYSA-N- Molecular formula
- C23H29N3O2S
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.19804835
Names & identifiers
- Preferred name
- Ketone, 10-(2-(dimethylamino)propyl)phenothiazin-2-yl morpholinomethyl-
- IUPAC
- 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone
- English name
- 10-(2-Dimethylaminopropyl)-10H-phenothiazin-2-yl(morpholinomethyl) ketone
- Molecular weight
- 0
Names & synonyms
13082-24-1BRN 0584312Phenothiazine, 10-(2-(dimethylamino)propyl)-2-(morpholinoacetyl)-KETONE, 10-(2-(DIMETHYLAMINO)PROPYL)PHENOTHIAZIN-2-YL MORPHOLINOMETHYL-RefChem:35038910-(2-Dimethylaminopropyl)-10H-phenothiazin-2-yl(morpholinomethyl) ketone1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanoneDTXSID909269271-{10-[2-(DIMETHYLAMINO)PROPYL]-10H-PHENOTHIAZIN-2-YL}-2-(MORPHOLIN-4-YL)ETHAN-1-ONE
Database identifiers
- CAS
13082-24-1- PubChem CID
- 25690
- DTXSID
DTXSID90926927- Nikkaji
- J71.216G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Melting point
- 116 °C · 116°C
- Density
- 1.1026 · 1.1026 (rough estimate)
- refractive index
- 1.674 · 1.6740 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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