1-(4-chlorophenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3996-0057 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 319.77 |
| Molecular Formula: | C14 H10 Cl N3 O2 S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccco2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.5602 |
| logD: | 1.0059 |
| logSw: | -3.378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.299 |
| InChI Key: | SYUJGOWWFRBILM-UHFFFAOYSA-N |