rel-(1R,5S)-3-(3,4-difluorobenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-(3,4-difluorobenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-(3,4-difluorobenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0034 |
| Compound Name: | rel-(1R,5S)-3-(3,4-difluorobenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 323.34 |
| Molecular Formula: | C16 H19 F2 N3 O2 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(c1ccc(c(c1)F)F)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7014 |
| logD: | -1.7221 |
| logSw: | -2.0171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.148 |
| InChI Key: | BTLQTEWGIQYEAB-NEPJUHHUSA-N |