(2E)-3-(3-methoxyphenyl)-1-[7-(4-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one
Chemical Structure Depiction of
(2E)-3-(3-methoxyphenyl)-1-[7-(4-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one
(2E)-3-(3-methoxyphenyl)-1-[7-(4-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one
Compound characteristics
| Compound ID: | P217-0195 |
| Compound Name: | (2E)-3-(3-methoxyphenyl)-1-[7-(4-methylbenzene-1-sulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]prop-2-en-1-one |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2CN(CC(C1)O2)C(/C=C/c1cccc(c1)OC)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.8929 |
| logD: | 2.8929 |
| logSw: | -3.3898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.624 |
| InChI Key: | GJTLWJDKNQTCGI-OYRHEFFESA-N |