(4-tert-butylphenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
(4-tert-butylphenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D331-0203 |
| Compound Name: | (4-tert-butylphenyl)[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C26 H28 N4 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(n1c(NCc2ccc(c(c2)OC)OC)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8457 |
| logD: | 4.8457 |
| logSw: | -4.6644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.066 |
| InChI Key: | AIQUDCJZLKALDW-UHFFFAOYSA-N |