methyl 5-[(2-methoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-methoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
methyl 5-[(2-methoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | Y502-5642 |
| Compound Name: | methyl 5-[(2-methoxy-4-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C17 H16 N4 O5 S |
| Smiles: | COC(c1ccc(COc2ccc(/C=N/n3cnnc3S)cc2OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.576 |
| logD: | 1.5274 |
| logSw: | -2.0265 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.348 |
| InChI Key: | YACCHYQGRYPZRI-UHFFFAOYSA-N |