(2-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(2-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
(2-chlorophenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
Compound ID: | D331-0195 |
Compound Name: | (2-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(c2ccccc2[Cl])=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 3.3246 |
logD: | 3.3246 |
logSw: | -3.7364 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.066 |
InChI Key: | WZIPIQMZFFECAF-UHFFFAOYSA-N |