rel-(1R,5S)-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0055 |
| Compound Name: | rel-(1R,5S)-3-(2-chlorobenzene-1-sulfonyl)-7-ethyl-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C15 H20 Cl N3 O3 S |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)S(c1ccccc1[Cl])(=O)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8311 |
| logD: | -0.4325 |
| logSw: | -2.6125 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.211 |
| InChI Key: | LRHCXYCSMOVHKI-NEPJUHHUSA-N |