ethyl 5-(acetyloxy)-2-[(thiocyanato)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-2-[(thiocyanato)methyl]-1-benzofuran-3-carboxylate
ethyl 5-(acetyloxy)-2-[(thiocyanato)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4546-0037 |
| Compound Name: | ethyl 5-(acetyloxy)-2-[(thiocyanato)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 319.33 |
| Molecular Formula: | C15 H13 N O5 S |
| Smiles: | CCOC(c1c2cc(ccc2oc1CSC#N)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.485 |
| logD: | 2.485 |
| logSw: | -2.7406 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.236 |
| InChI Key: | IZGNPTNHPMKZCI-UHFFFAOYSA-N |