Basic information
- Standard SMILES
O=C(CC(F)(F)F)C1Cn2ccc3c(C(F)(F)F)c(CCc4ccccc4)cc(c32)CN1- InChIKey
GVBGXCCJYWNLDP-UHFFFAOYSA-N- Molecular formula
- C23H20F6N2O
- Average molar mass
- 454.4 g/mol
Names & identifiers
- Preferred name
- 3,3,3-trifluoro-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)propan-1-one
- IUPAC
- 3,3,3-trifluoro-1-[6-(2-phenylethyl)-5-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-11-yl]propan-1-one
Names & synonyms
3,3,3-trifluoro-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)propan-1-oneSCHEMBL15166945
Database identifiers
- PubChem CID
- 86692002
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
1 records
Compound notes
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