[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
Chemical Structure Depiction of
[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
[5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | D331-0531 |
| Compound Name: | [5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | COc1ccc(cc1)C(n1c(NCc2cccc(c2)[Cl])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1161 |
| logD: | 4.1161 |
| logSw: | -4.4862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.349 |
| InChI Key: | JQMROZOALHWROE-UHFFFAOYSA-N |