2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0103 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C22 H19 Cl N4 O4 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(COc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.745 |
| logD: | 3.745 |
| logSw: | -4.3486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.321 |
| InChI Key: | OYGQMYKXTNAMBO-UHFFFAOYSA-N |