methyl {[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-3796 |
| Compound Name: | methyl {[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccco2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8247 |
| logD: | 2.8244 |
| logSw: | -3.0896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.141 |
| InChI Key: | ZJKGQDQNTXFIGY-UHFFFAOYSA-N |