Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccncc3)c3n(c2c1)CCCCC3- InChIKey
UWDSYSFPIBJXIX-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 2-[7,8,9,10-Tetrahydro-11-(4-pyridyl)-6H-azepino[1,2-a]indole-3-yloxy]-2-methyl-propanoic acid ethylester
- IUPAC
- ethyl 2-methyl-2-[(11-pyridin-4-yl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-3-yl)oxy]propanoate
Names & synonyms
SCHEMBL11264489UWDSYSFPIBJXIX-UHFFFAOYSA-N2-[7,8,9,10-Tetrahydro-11-(4-pyridyl)-6H-azepino[1,2-a]indole-3-yloxy]-2-methyl-propanoic acid ethylester
Database identifiers
- PubChem CID
- 54375425
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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