1-[5-{[(2-chloro-6-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[5-{[(2-chloro-6-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
1-[5-{[(2-chloro-6-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | D331-0435 |
| Compound Name: | 1-[5-{[(2-chloro-6-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 376.82 |
| Molecular Formula: | C18 H18 Cl F N4 O2 |
| Smiles: | CC(C)CC(n1c(NCc2c(cccc2[Cl])F)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1514 |
| logD: | 4.1514 |
| logSw: | -4.3761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.55 |
| InChI Key: | LIPYMVVOZUZKAF-UHFFFAOYSA-N |