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Basic information
- Standard SMILES
CC(=O)OCC(=O)C1Cn2ccc3c(C(F)(F)F)c(CCc4ccccc4)cc(c32)CN1- InChIKey
JSAVCKAXFNQGOC-UHFFFAOYSA-N- Molecular formula
- C24H23F3N2O3
- Average molar mass
- 444.4 g/mol
Names & identifiers
- Preferred name
- 2-oxo-2-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)ethyl acetate
- IUPAC
- [2-oxo-2-[6-(2-phenylethyl)-5-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-11-yl]ethyl] acetate
Names & synonyms
2-oxo-2-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)ethyl acetateSCHEMBL15166735
Database identifiers
- PubChem CID
- 86692001
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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