N-[2-[[1-[4-[6-(azetidin-1-yl)-3-pyridinyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Basic information
- Standard SMILES
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(O)(c3ccc(N4CCC4)nc3)CC2)C1- InChIKey
CJBYIXYFDKYORO-UHFFFAOYSA-N- Molecular formula
- C28H34F3N5O3
- Average molar mass
- 545.6 g/mol
- Monoisotopic mass
- 545.26137445
Names & identifiers
- Preferred name
- N-[2-[[1-[4-[6-(azetidin-1-yl)-3-pyridinyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-[[1-[4-[6-(azetidin-1-yl)-3-pyridinyl]-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
SCHEMBL5240522
Database identifiers
- PubChem CID
- 69367209
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 862
Related reactions
1 records
Compound notes
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