Basic information
- Standard SMILES
O=C(NC1(C(=O)NC2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2=O)CCCCC1)c1cc2ccccc2s1- InChIKey
YPKSIHXCVFAMHU-UHFFFAOYSA-N- Molecular formula
- C28H27ClF3N3O3S
- Average molar mass
- 578 g/mol
Names & identifiers
- Preferred name
- 4-[N-[1-[N-(benzothiophen-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-(2-chloro-5-trifluoromethylphenyl)piperidin-3-one
- IUPAC
- N-[1-[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Names & synonyms
4-[N-[1-[N-(benzothiophen-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-(2-chloro-5-trifluoromethylphenyl)piperidin-3-oneSCHEMBL5102565
Database identifiers
- PubChem CID
- 10348181
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 931
Related reactions
1 records
Compound notes
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