rel-(1R,2R,5S)-2-[4-ethyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-[4-ethyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[4-ethyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8017-7307 |
| Compound Name: | rel-(1R,2R,5S)-2-[4-ethyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | CCN1C(c2ccoc2C)=NN(C1=S)[C@@H]1CC([C@H]2OC[C@@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3383 |
| logD: | 1.3383 |
| logSw: | -2.3277 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.805 |
| InChI Key: | JTGAHXIGXRIDPC-ZKYQVNSYSA-N |