methyl 5-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | 8017-7325 |
| Compound Name: | methyl 5-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | COC(c1ccc(CSc2nnc(c3ccncc3)[nH]2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6711 |
| logD: | 0.6329 |
| logSw: | -1.9444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.917 |
| InChI Key: | IHNYJMUUFRBDMU-UHFFFAOYSA-N |