3-(4-Fluorobenzoyl)-8-hydroxy-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester

HCID 66640979

Basic information

Standard SMILES
CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(O)ccc21
InChIKey
JOGWRACZOMYWFP-UHFFFAOYSA-N
Molecular formula
C24H23FN2O4
Average molar mass
422.4 g/mol

Names & identifiers

Preferred name
3-(4-Fluorobenzoyl)-8-hydroxy-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester
IUPAC
ethyl 3-(4-fluorobenzoyl)-8-hydroxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Names & synonyms

SCHEMBL275153JOGWRACZOMYWFP-UHFFFAOYSA-N3-(4-fluorobenzoyl)-8-hydroxy-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]-indole-5-carboxylic acid ethyl ester3-(4-fluorobenzoyl)-8-hydroxy-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester

Database identifiers

PubChem CID
66640979

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
82.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

18 records

Compound notes

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