Basic information
- CAS
3111-71-5- Standard SMILES
Cl.OCCN1CCN(CCCN2c3ccccc3Sc3cccc(Cl)c32)CC1- InChIKey
MGIBHPUBSWWFMP-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2N3OS
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.1251891
Names & identifiers
- Preferred name
- 2-{4-[3-(1-Chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/1)
- IUPAC
- 2-[4-[3-(1-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;hydrochloride
Names & synonyms
DTXSID009532092-{4-[3-(1-Chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
3111-71-5- PubChem CID
- 76557
- DTXSID
DTXSID00953209
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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