Basic information
- Standard SMILES
CC(CC(=O)C1Cn2ccc3c(C(F)(F)F)c(CCc4ccccc4)cc(c32)CN1)C(F)(F)F- InChIKey
CJUQTMCSTDPOIJ-UHFFFAOYSA-N- Molecular formula
- C25H24F6N2O
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.17928237
Names & identifiers
- Preferred name
- 4,4,4-trifluoro-3-methyl-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)butan-1-one
- IUPAC
- 4,4,4-trifluoro-3-methyl-1-[6-(2-phenylethyl)-5-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-11-yl]butan-1-one
Names & synonyms
4,4,4-trifluoro-3-methyl-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)butan-1-oneSCHEMBL15166970
Database identifiers
- PubChem CID
- 86692003
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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