Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc(N(CCOc2ccccc2C)C(=O)C(F)(F)F)ccc1C(=O)N1CCCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc21- InChIKey
UDEIHALUHMGHOR-UHFFFAOYSA-N- Molecular formula
- C36H40ClF3N4O5
- Average molar mass
- 701.2 g/mol
- Monoisotopic mass
- 700.2639326
Names & identifiers
- Preferred name
- 7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-[N-[2-(2-methylphenoxy)ethyl]-N-trifluoroacetylamino]benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
- IUPAC
- N-[4-[7-chloro-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2,2,2-trifluoro-N-[2-(2-methylphenoxy)ethyl]acetamide
Names & synonyms
7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-[N-[2-(2-methylphenoxy)ethyl]-N-trifluoroacetylamino]benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-{N-[2-(2-methylphenoxy)ethyl]-N-trifluoroacetylamino}benzoyl]-2,3,4,5-tetrahydro-1H-benzazepineSCHEMBL70222247-chloro-5-[(4-methyl-1-piperazinyl)carbonyl-methyl]-1-[2-methoxy-4-{N-[2-(2-methylphenoxy)ethyl]-N-trifluoroacetylamino}-benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine7-chloro-5-[(4-methyl-1-piperazinyl)carbonylmethyl]-1-[2-methoxy-4-{N-[2-(2-methylphenoxy)ethyl]-N-trifluoroacetylamino}-benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
Database identifiers
- PubChem CID
- 18001098
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
8 records
Compound notes
Loading…