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Basic information
- Standard SMILES
Cc1ccc(C[C@@H]2CN(CC#CCN3CCOCC3(C)C)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C- InChIKey
ZFNZINPMBWCEHM-MUUNZHRXSA-N- Molecular formula
- C32H37F6N3O2
- Average molar mass
- 609.6 g/mol
- Monoisotopic mass
- 609.2789964
Names & identifiers
- Preferred name
- (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazine
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]-[(2R)-4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
Names & synonyms
(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazineSCHEMBL6132447(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl) -4-[4-(3,3-dimethylmorpholino)-2-butynyl]piperazine(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-(3,3-dimethylmorpholino)-2-butynyl]-piperazine
Database identifiers
- PubChem CID
- 54544444
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 996
Related reactions
1 records
Compound notes
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