2-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8001-1542 |
| Compound Name: | 2-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C13 H11 N O4 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(Oc2ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2593 |
| logD: | 1.2593 |
| logSw: | -1.9892 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.42 |
| InChI Key: | KKRWBABMNAGPNP-UHFFFAOYSA-N |