rel-(1R,5S)-3-(5-chloro-2-methoxybenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-(5-chloro-2-methoxybenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-(5-chloro-2-methoxybenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0047 |
| Compound Name: | rel-(1R,5S)-3-(5-chloro-2-methoxybenzoyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 351.83 |
| Molecular Formula: | C17 H22 Cl N3 O3 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(c1cc(ccc1OC)[Cl])=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0643 |
| logD: | -1.3593 |
| logSw: | -2.8052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.779 |
| InChI Key: | CYTPOMUSUAZTME-YPMHNXCESA-N |