Basic information
- CAS
19142-68-8- Standard SMILES
CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
CSJGNRAVTRAKFB-UHFFFAOYSA-N- Molecular formula
- C24H32ClN3O2S
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.1903761
Names & identifiers
- Preferred name
- 2-(2-(4-(2-((2-Chloro-10-phenothiazinyl)methyl)propyl)-1-piperazinyl)ethoxy)ethanol
- IUPAC
- 2-[2-[4-[3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
Names & synonyms
2-(2-(4-(2-((2-Chloro-10-phenothiazinyl)methyl)propyl)-1-piperazinyl)ethoxy)ethanolDTXSID101031118RefChem:1060804DTXCID40151615319142-68-8MLS003106706NSC169096UCB 2493NSC 169096BRN 0769895Ethanol, 2-(2-(4-(2-((2-chloro-10-phenothiazinyl)methyl)propyl)-1-piperazinyl)ethoxy)-CHEMBL1873431
Show more names
NSC-169096SMR0018215982-[2-[4-[3-(2-chlorophenothiazin-10-yl)-2-methyl-propyl]piperazin-1-yl]ethoxy]ethanolEthanol, 2-[2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)-2-methylpropyl]-1-piperazinyl]ethoxy]-
Database identifiers
- CAS
19142-68-8- PubChem CID
- 99045
- DTXSID
DTXSID101031118- ChEMBL
CHEMBL1873431- Nikkaji
- J92.950F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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