1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1580 |
| Compound Name: | 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 488.34 |
| Molecular Formula: | C24 H18 Br N5 O2 |
| Smiles: | Cc1ccc(cc1)NC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Br])on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9658 |
| logD: | 5.9657 |
| logSw: | -5.5577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.656 |
| InChI Key: | XDNWJTZQTZQOMR-UHFFFAOYSA-N |