2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
Basic information
- CAS
641-33-8- Standard SMILES
CCN(CC)CC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
BPWOKDWTZDTHNX-UHFFFAOYSA-N- Molecular formula
- C18H20N2OS
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.12963444
Names & identifiers
- Preferred name
- 2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
- IUPAC
- 2-(diethylamino)-1-phenothiazin-10-ylethanone
Names & synonyms
Phenothiazine, 1-(N,N-diethylglycyl)-641-33-8DTXSID202143042-(diethylamino)-1-(10H-phenothiazin-10-yl)ethanoneRefChem:1061561DTXCID80136795DiphasinDifazinDiphasineDiphazine10-(Diethylaminoacetyl)phenothiazine10-(N,N-Diethylglycyl)phenothiazine
Show more names
BRN 0032572Maybridge2_0001624-27-00-01273 (Beilstein Handbook Reference)MLS001181901SCHEMBL7350072CHEMBL17080252-(diethylamino)-1-(10H-phenothiazin-10-yl)ethan-1-oneHMS1303H08
Database identifiers
- CAS
641-33-8- PubChem CID
- 69500
- DTXSID
DTXSID20214304- ChEMBL
CHEMBL1708025
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility>46.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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