5-(3-bromo-4-fluorophenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3-bromo-4-fluorophenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3-bromo-4-fluorophenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | IB04-7973 |
| Compound Name: | 5-(3-bromo-4-fluorophenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 354.2 |
| Molecular Formula: | C13 H9 Br F N3 O S |
| Smiles: | C(c1ccco1)N1C(c2ccc(c(c2)[Br])F)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 3.3 |
| logSw: | -4.95 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.73 |
| InChI Key: | ISBUXBBIPXZXPV-UHFFFAOYSA-N |