Basic information
- CAS
63463-51-4- Standard SMILES
FC(F)(F)Sc1ccc2c(c1)C(=C1CCN(CC3CC3)CC1)c1ccccc1C=C2- InChIKey
GCRUXZKMBCLCMN-UHFFFAOYSA-N- Molecular formula
- C25H24F3NS
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.15815543
Names & identifiers
- Preferred name
- MK-160
- IUPAC
- 1-(cyclopropylmethyl)-4-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene]piperidine
Names & synonyms
409SEY4W7OMK-160Piperidine, 1-(cyclopropylmethyl)-4-(3-((trifluoromethyl)thio)-5H-dibenzo(c,d)cyclohepten-5-ylidene)-, (-)-UNII-409SEY4W7ODTXSID80212886(-)-1'-(CYCLOPROPYLMETHYL)-3-(TRIFLUOROMETHYLTHIO)NORCYPROHEPTADINE(-)-1-(CYCLOPROPYLMETHYL)-4-(3-((TRIFLUOROMETHYL)THIO)-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)PIPERIDINEPIPERIDINE, 1-(CYCLOPROPYLMETHYL)-4-(3-((TRIFLUOROMETHYL)THIO)-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-, (-)-RefChem:201790DTXCID1013537763463-51-4SCHEMBL9444001
Show more names
SCHEMBL9444002CHEMBL3249320SCHEMBL31490056(+/-)-1-cyclopropylmethyl-4-(3-trifluoromethylthio-5H-dibenzo[a,d]cyclohepten-5-ylidene)piperidine(-)-1-cyclopropylmethyl-4-(3-trifluoromethylthio-5h-dibenzo-[a,d]cyclohepten-5-ylidene) piperidine1-(Cyclopropylmethyl)-4-{3-[(trifluoromethyl)sulfanyl]-5H-dibenzo[a,d][7]annulen-5-ylidene}piperidine
Database identifiers
- CAS
63463-51-4- PubChem CID
- 3085262
- DTXSID
DTXSID80212886- ChEMBL
CHEMBL3249320
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
Related reactions
1 records
Compound notes
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