rel-(1R,2R,5S)-2-(4-cyclohexyl-3-phenyl-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-cyclohexyl-3-phenyl-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-cyclohexyl-3-phenyl-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: | 8017-2564 |
| Compound Name: | rel-(1R,2R,5S)-2-(4-cyclohexyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | C1CCC(CC1)N1C(c2ccccc2)=NN(C1=S)[C@H]1CC([C@@H]2OC[C@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2115 |
| logD: | 3.2115 |
| logSw: | -3.1578 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.798 |
| InChI Key: | SPGLAQXGFDMRLF-KVSKMBFKSA-N |