2-(3,4-dimethoxyphenyl)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D331-0126 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C23 H21 F N4 O4 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccc(cc3)F)nc(c3ccco3)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1242 |
| logD: | 3.1215 |
| logSw: | -3.2498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.539 |
| InChI Key: | NNKFTUQEFSSELJ-UHFFFAOYSA-N |