rel-(1R,5S)-3-ethyl-7-(4-phenylbutanoyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-ethyl-7-(4-phenylbutanoyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-ethyl-7-(4-phenylbutanoyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0048 |
| Compound Name: | rel-(1R,5S)-3-ethyl-7-(4-phenylbutanoyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(CCCc1ccccc1)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6125 |
| logD: | -0.9268 |
| logSw: | -1.8081 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.621 |
| InChI Key: | QJMCKHSORZNUGZ-SJORKVTESA-N |