rel-(1R,2R,5S)-2-[3-(2-chlorophenyl)-4-(prop-2-en-1-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-[3-(2-chlorophenyl)-4-(prop-2-en-1-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-[3-(2-chlorophenyl)-4-(prop-2-en-1-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: | 8015-7269 |
| Compound Name: | rel-(1R,2R,5S)-2-[3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | C=CCN1C(c2ccccc2[Cl])=NN(C1=S)[C@H]1CC([C@@H]2OC[C@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6084 |
| logD: | 2.6084 |
| logSw: | -3.5663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.826 |
| InChI Key: | MXPRLZSQCRUBMN-JGGQBBKZSA-N |