5-[(3,5-difluorophenyl)methyl]-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(3,5-difluorophenyl)methyl]-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(3,5-difluorophenyl)methyl]-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | IB04-1599 |
| Compound Name: | 5-[(3,5-difluorophenyl)methyl]-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 307.32 |
| Molecular Formula: | C14 H11 F2 N3 O S |
| Smiles: | C(C1=NNC(N1Cc1ccco1)=S)c1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.52 |
| logD: | 3.49 |
| logSw: | -4.19 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.85 |
| InChI Key: | GDJXOJFLZHXMKH-UHFFFAOYSA-N |