Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21- InChIKey
USGAAYYRQKQBLT-UHFFFAOYSA-N- Molecular formula
- C42H55ClN2O4
- Average molar mass
- 687.3 g/mol
Names & identifiers
- Preferred name
- {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}hexadecanoate
- IUPAC
- [7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] hexadecanoate
Names & synonyms
USGAAYYRQKQBLT-UHFFFAOYSA-N{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} hexadecanoate{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}hexadecanoate
Database identifiers
- PubChem CID
- 86652151
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 992
Related reactions
3 records
Compound notes
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