2-[2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethylamino]ethanol
Basic information
- CAS
66421-94-1- Standard SMILES
OCCNCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1- InChIKey
QQSBRRVYKYFYQA-UHFFFAOYSA-N- Molecular formula
- C24H31F3N4OS
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.21706728
Names & identifiers
- Preferred name
- 2-[2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethylamino]ethanol
- IUPAC
- 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethylamino]ethanol
Names & synonyms
NSC16967666421-94-1NCIMech_000682CHEMBL2010227SCHEMBL32690234CCG-361432-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethylamino]ethanolNCI60_001362PD0276602-{[2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl]amino}ethanol
Database identifiers
- CAS
66421-94-1- PubChem CID
- 424929
- ChEMBL
CHEMBL2010227- Nikkaji
- J2.291.984I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 591
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Related reactions
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Compound notes
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