Basic information
- CAS
176092-23-2- Standard SMILES
O=C(N1CCOCC1)N1c2ccccc2Sc2ccccc21- InChIKey
PWLGMYUBQYNSQV-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- 10-(4-morpholinylcarbonyl)-10H-phenothiazine
- IUPAC
- morpholin-4-yl(phenothiazin-10-yl)methanone
- English name
- 10-(4-morpholinylcarbonyl)-10H-phenothiazine
- Molecular formula
- C17H16N2O2S
- Molecular weight
- 312.39
Names & synonyms
176092-23-210-(4-morpholinylcarbonyl)-10H-phenothiazinemorpholin-4-yl(phenothiazin-10-yl)methanone10-(morpholine-4-carbonyl)-10H-phenothiazineCHEMBL590511MORPHOLINO(10H-PHENOTHIAZIN-10-YL)METHANONEMorpholin-4-yl-phenothiazin-10-yl-methanoneH9ZNB3FQE9Oprea1_836979MLS000557099SCHEMBL31061490HMS2479C10
Show more names
morpholin-4-yl(10H-phenothiazin-10-yl)methanoneMethanone, 4-morpholinyl-10H-phenothiazin-10-yl-
BDBM50308416STK144997AKOS000498790morpholin-4-yl phenothiazin-10-yl ketonePD186666SMR000178119ST450463134-Morpholinyl-10H-phenothiazin-10-ylmethanone
Database identifiers
- CAS
176092-23-2- PubChem CID
- 705776
- ChEMBL
CHEMBL590511- UNII
- H9ZNB3FQE9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 468.9 · 468.9±45.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- -1.57 · -1.57±0.20(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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