Basic information
- CAS
40550-34-3- Standard SMILES
NCCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21- InChIKey
QVEUKHRUDUMXID-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2OS
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.0700687
Overview
cpd is di(deethyl)fluoracizine
Names & identifiers
- Preferred name
- Dediethylftoracizin
- IUPAC
- 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Names & synonyms
Dediethylftoracizin40550-34-3DTXSID7019357410-(beta-Aminopropionyl)-2-trifluoromethylphenothiazine10H-Phenothiazine, 10-(3-amino-1-oxopropyl)-2-(trifluoromethyl)-RefChem:131402DTXCID101160653-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one3-amino-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one3-Amino-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propan-1-oneHMS652O09ChemDiv1_023197
Show more names
STK547264AKOS001623835EU-00735343-amino-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
40550-34-3- PubChem CID
- 62863
- DTXSID
DTXSID70193574
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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