Basic information
- Standard SMILES
O=C1c2c(-c3ccccc3)cc(N3CCC(N4CCCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
QPTDDZXEMKTNMV-UHFFFAOYSA-N- Molecular formula
- C34H36F6N4O2
- Average molar mass
- 646.7 g/mol
Names & identifiers
- Preferred name
- 5-[3,5-bis(trifluoromethyl)benzyl]-6-oxo-7-phenyl-9-[4-(piperidine-1-yl)piperidine-1-yl]-2,3,4,5-tetrahydro-6H-pyrido[2,3-b][1,5]oxazocine
- IUPAC
- 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-phenyl-9-(4-piperidin-1-ylpiperidin-1-yl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Names & synonyms
5-[3,5-bis(trifluoromethyl)benzyl]-6-oxo-7-phenyl-9-[4-(piperidine-1-yl)piperidine-1-yl]-2,3,4,5-tetrahydro-6H-pyrido[2,3-b][1,5]oxazocineCHEMBL362456SCHEMBL6092004
Database identifiers
- PubChem CID
- 22179357
- ChEMBL
CHEMBL362456
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 971
Related reactions
1 records
Compound notes
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