(4-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
(4-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D331-0188 |
| Compound Name: | (4-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C22 H19 Cl N4 O4 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(c2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.646 |
| logD: | 3.646 |
| logSw: | -4.2188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.066 |
| InChI Key: | YCVLSFVZUFNMTK-UHFFFAOYSA-N |