ethyl 4-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V031-3501 |
| Compound Name: | ethyl 4-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccco2)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1527 |
| logD: | 3.1527 |
| logSw: | -3.38 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.051 |
| InChI Key: | VQJXUDSRRAYYNH-UHFFFAOYSA-N |