1-(2,4-dimethylphenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,4-dimethylphenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3996-0053 |
| Compound Name: | 1-(2,4-dimethylphenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C16 H15 N3 O2 S |
| Smiles: | Cc1ccc(C(CSc2nnc(c3ccco3)[nH]2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0849 |
| logD: | 1.5306 |
| logSw: | -3.241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.299 |
| InChI Key: | NXYVDMIMOBWIPF-UHFFFAOYSA-N |