2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8008-9164 |
| Compound Name: | 2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C13 H12 N4 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccccc2)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2945 |
| logD: | 1.2945 |
| logSw: | -2.0384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.474 |
| InChI Key: | CIFNYXJRKAYSPW-UHFFFAOYSA-N |