methyl {[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-2774 |
| Compound Name: | methyl {[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C16 H14 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4147 |
| logD: | 3.4139 |
| logSw: | -3.7269 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.84 |
| InChI Key: | IKVBAYVTQKNNDV-UHFFFAOYSA-N |