1-[5-(benzylsulfanyl)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[5-(benzylsulfanyl)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[5-(benzylsulfanyl)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | 6529-0266 |
| Compound Name: | 1-[5-(benzylsulfanyl)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | C(Cc1ccccc1)C(n1c(nc(c2ccco2)n1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6739 |
| logD: | 4.6739 |
| logSw: | -4.8014 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.446 |
| InChI Key: | BNTDGTHOLYYLEQ-UHFFFAOYSA-N |