[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methoxyphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methoxyphenyl)methanone
[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | D116-0146 |
| Compound Name: | [5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methoxyphenyl)methanone |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | COc1cccc(c1)C(n1c(NCc2ccc(cc2)[Cl])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0092 |
| logD: | 4.0092 |
| logSw: | -4.5501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.349 |
| InChI Key: | KWQNNGVMFSVTGB-UHFFFAOYSA-N |