1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | 6855-0399 |
| Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C17 H17 Cl N4 O2 |
| Smiles: | CCCC(n1c(NCc2ccco2)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.472 |
| logD: | 4.472 |
| logSw: | -4.6045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.72 |
| InChI Key: | XCYADPOZSBWEBE-UHFFFAOYSA-N |