1-[3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,4,6-trimethylphenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,4,6-trimethylphenyl]ethan-1-one
1-[3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,4,6-trimethylphenyl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-9994 |
| Compound Name: | 1-[3-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,4,6-trimethylphenyl]ethan-1-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | CC(c1c(C)cc(C)c(CSc2nnc(c3ccco3)n2c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.394 |
| logD: | 5.3938 |
| logSw: | -5.4281 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.118 |
| InChI Key: | VZEHKADWTBTQJR-UHFFFAOYSA-N |