rel-(1R,5S)-N-(3-chloro-4-fluorophenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
Chemical Structure Depiction of
rel-(1R,5S)-N-(3-chloro-4-fluorophenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
rel-(1R,5S)-N-(3-chloro-4-fluorophenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
Compound characteristics
| Compound ID: | SD24-0166 |
| Compound Name: | rel-(1R,5S)-N-(3-chloro-4-fluorophenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C16 H20 Cl F N4 O2 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(Nc1ccc(c(c1)[Cl])F)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.559 |
| logD: | -0.6056 |
| logSw: | -2.7692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.969 |
| InChI Key: | QEKMVHRVUYDMJY-PWSUYJOCSA-N |