2-(4-{4-[chloro(difluoro)methoxy]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-{4-[chloro(difluoro)methoxy]phenyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-{4-[chloro(difluoro)methoxy]phenyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-2725 |
| Compound Name: | 2-(4-{4-[chloro(difluoro)methoxy]phenyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 404.78 |
| Molecular Formula: | C14 H11 Cl F2 N4 O4 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccc(cc2)OC(F)(F)[Cl])N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4037 |
| logD: | 2.4037 |
| logSw: | -3.0991 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.972 |
| InChI Key: | KMALVPFANQZSFI-UHFFFAOYSA-N |