Ketone, 10-(3-(dimethylamino)propyl)phenothiazin-2-yl morpholinomethyl-
Basic information
- CAS
13065-64-0- Standard SMILES
CN(C)CCCN1c2ccccc2Sc2ccc(C(=O)CN3CCOCC3)cc21- InChIKey
TYPDTFWUBJTYNI-UHFFFAOYSA-N- Molecular formula
- C23H29N3O2S
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.19804835
Names & identifiers
- Preferred name
- Ketone, 10-(3-(dimethylamino)propyl)phenothiazin-2-yl morpholinomethyl-
- IUPAC
- 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone
- English name
- 1-[10-(3-Dimethylaminopropyl)-10H-phenothiazin-2-yl]-2-morpholinoethanone
- Molecular formula
- C23H29N3O2S
- Molecular weight
- 411.56
Names & synonyms
13065-64-0BRN 0582648KETONE, 10-(3-(DIMETHYLAMINO)PROPYL)PHENOTHIAZIN-2-YL MORPHOLINOMETHYL-DTXSID90156666Phenothiazine, 10-(3-(dimethylamino)propyl)-2-(morpholinoacetyl)-RefChem:350394DTXCID30791571-[10-(3-Dimethylaminopropyl)-10H-phenothiazin-2-yl]-2-morpholinoethanone1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanone1-{10-[3-(DIMETHYLAMINO)PROPYL]-10H-PHENOTHIAZIN-2-YL}-2-(MORPHOLIN-4-YL)ETHAN-1-ONEEthanone, 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-2-(4-morpholinyl)-
Database identifiers
- CAS
13065-64-0- PubChem CID
- 25668
- DTXSID
DTXSID90156666- Nikkaji
- J71.217E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Density
- 1.1026 · 1.1026 (rough estimate)
- refractive index
- 1.674 · 1.6740 (estimate)
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Compound notes
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