[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
Compound characteristics
| Compound ID: | D331-0659 |
| Compound Name: | [5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone |
| Molecular Weight: | 479.38 |
| Molecular Formula: | C24 H23 Br N4 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(n1c(NCc2ccc(cc2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0647 |
| logD: | 6.0647 |
| logSw: | -5.5715 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.806 |
| InChI Key: | ZDCNWNAKCSQQTQ-UHFFFAOYSA-N |