[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methylphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methylphenyl)methanone
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methylphenyl)methanone
Compound characteristics
| Compound ID: | D331-0655 |
| Compound Name: | [5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-methylphenyl)methanone |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C21 H17 Br N4 O2 |
| Smiles: | Cc1cccc(c1)C(n1c(NCc2ccc(cc2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5573 |
| logD: | 4.5573 |
| logSw: | -4.3773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.806 |
| InChI Key: | JJJXRSAZGHTBJC-UHFFFAOYSA-N |