1-[5-(benzylamino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[5-(benzylamino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
1-[5-(benzylamino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | D116-0044 |
| Compound Name: | 1-[5-(benzylamino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C21 H18 N4 O2 |
| Smiles: | C(C(n1c(NCc2ccccc2)nc(c2ccco2)n1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4766 |
| logD: | 3.4739 |
| logSw: | -3.4991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.278 |
| InChI Key: | ZWPFBNNFMYRPEV-UHFFFAOYSA-N |