(4-tert-butylphenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
(4-tert-butylphenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D331-0032 |
| Compound Name: | (4-tert-butylphenyl)[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | Cc1ccc(CNc2nc(c3ccco3)nn2C(c2ccc(cc2)C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6542 |
| logD: | 5.6542 |
| logSw: | -5.4936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.806 |
| InChI Key: | HEPQGPPXWAGSLG-UHFFFAOYSA-N |