methyl 5-[(2-ethoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-ethoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
methyl 5-[(2-ethoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | Y502-5645 |
| Compound Name: | methyl 5-[(2-ethoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CCOc1cc(/C=N/n2cnnc2S)ccc1OCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.7216 |
| logD: | 1.673 |
| logSw: | -2.1706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.927 |
| InChI Key: | RHPMHYBAFHUWEM-UHFFFAOYSA-N |