Basic information
- Standard SMILES
CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCCc4ccccc43)CC2)cc(C(F)(F)F)n1- InChIKey
GTZSQZPMHIHCCP-UHFFFAOYSA-N- Molecular formula
- C27H36F3N5O
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
- IUPAC
- 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-4,5-dihydro-3H-1-benzazepin-2-one
Names & synonyms
CHEMBL3805971-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-oneSCHEMBL1764078BDBM501764391-(4-{4-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}butyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Database identifiers
- PubChem CID
- 44407436
- ChEMBL
CHEMBL380597
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 719
Related reactions
3 records
Compound notes
Loading…