1-[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D331-0630 |
| Compound Name: | 1-[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 389.25 |
| Molecular Formula: | C17 H17 Br N4 O2 |
| Smiles: | CCCC(n1c(NCc2ccc(cc2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.91 |
| logD: | 3.91 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.55 |
| InChI Key: | OTUNSSOZJZBTOC-UHFFFAOYSA-N |