methyl 5-[(2-methoxy-4-{[(3-methyl-5-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-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
methyl 5-[(2-methoxy-4-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | Y508-9968 |
| Compound Name: | methyl 5-[(2-methoxy-4-{[(3-methyl-5-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: | Cc1nnc(n1/N=C/c1ccc(c(c1)OC)OCc1ccc(C(=O)OC)o1)S |
| Stereo: | ACHIRAL |
| logP: | 1.6399 |
| logD: | 0.8941 |
| logSw: | -2.0654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.087 |
| InChI Key: | HNBBZJBEKGWDPN-UHFFFAOYSA-N |