2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
Basic information
- CAS
17231-42-4- Standard SMILES
O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)C12CC3CC(CC(C3)C1)C2- InChIKey
NDLJYJKORNFJMW-UHFFFAOYSA-N- Molecular formula
- C33H40F3N3O2S
- Average molar mass
- 599.8 g/mol
- Monoisotopic mass
- 599.27933319
Names & identifiers
- Preferred name
- 2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
- IUPAC
- 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
Names & synonyms
NSC29259317231-42-42-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylateDTXSID20315163NSC-2925932-(4-{3-[2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL]PROPYL}PIPERAZIN-1-YL)ETHYL ADAMANTANE-1-CARBOXYLATETricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
Database identifiers
- CAS
17231-42-4- PubChem CID
- 325057
- DTXSID
DTXSID20315163
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 916
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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