{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}hexadecanoate

HCID 86652151

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

Related reactions

3 records

Compound notes

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