2-(4-ethoxyphenyl)-1-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-1-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethan-1-one
2-(4-ethoxyphenyl)-1-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | P217-0360 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-[7-(3-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethan-1-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | CCOc1ccc(CC(N2CC3CN(CC(C2)O3)S(c2cccc(C)c2)(=O)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 2.8461 |
| logD: | 2.8461 |
| logSw: | -3.2112 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.204 |
| InChI Key: | DCUYWJRDLRQVCG-OYRHEFFESA-N |