Basic information
- Standard SMILES
CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)c2c1[nH]c1ccccc21- InChIKey
MVYSSTPZWAVKFN-UHFFFAOYSA-N- Molecular formula
- C23H21FN2O3
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-fluorobenzoyl)-1-methyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate
- IUPAC
- ethyl 3-(4-fluorobenzoyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
Names & synonyms
Azepino[4,5-b]indole, 6dSCHEMBL273743CHEMBL507745SCHEMBL29881422BDBM28533MVYSSTPZWAVKFN-UHFFFAOYSA-Nethyl 3-(4-fluorobenzoyl)-1-methyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate3-(4-fluorobenzoyl)-1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl esterethyl 3-[(4-fluorophenyl)carbonyl]-1-methyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate
Database identifiers
- PubChem CID
- 10000577
- ChEMBL
CHEMBL507745
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Related reactions
7 records
Compound notes
Loading…