2-{5-[4-(methylsulfanyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{5-[4-(methylsulfanyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{5-[4-(methylsulfanyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-8913 |
| Compound Name: | 2-{5-[4-(methylsulfanyl)phenyl]-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | CSc1ccc(cc1)c1nnnn1C1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4518 |
| logD: | 1.4518 |
| logSw: | -2.1428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.464 |
| InChI Key: | RUFAIAXJOQYVIR-UHFFFAOYSA-N |