(2E)-1-[7-(3-fluorobenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
(2E)-1-[7-(3-fluorobenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
(2E)-1-[7-(3-fluorobenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | P217-1036 |
| Compound Name: | (2E)-1-[7-(3-fluorobenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C22 H23 F N2 O5 S |
| Smiles: | COc1ccc(/C=C/C(N2CC3CN(CC(C2)O3)S(c2cccc(c2)F)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4778 |
| logD: | 2.4778 |
| logSw: | -2.9127 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.624 |
| InChI Key: | MHNHZOHFEUSUDV-BGYRXZFFSA-N |