rel-(1R,5S)-3-ethyl-7-(5-fluoro-2-methylbenzene-1-sulfonyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-ethyl-7-(5-fluoro-2-methylbenzene-1-sulfonyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-ethyl-7-(5-fluoro-2-methylbenzene-1-sulfonyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0065 |
| Compound Name: | rel-(1R,5S)-3-ethyl-7-(5-fluoro-2-methylbenzene-1-sulfonyl)-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C16 H22 F N3 O3 S |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)S(c1cc(ccc1C)F)(=O)=O)C(N2)=O |
| Stereo: | RELATIVE |
| logP: | 1.0695 |
| logD: | -0.1941 |
| logSw: | -2.4755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.211 |
| InChI Key: | MCAZHCPTPGURLQ-OCCSQVGLSA-N |