5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0087 |
| Compound Name: | 5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 497.35 |
| Molecular Formula: | C22 H21 Br N6 O3 |
| Smiles: | Cc1ccc(cc1)NC(c1c(N)n(Cc2c(C)oc(c3cc(ccc3OC)[Br])n2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7018 |
| logD: | 3.7018 |
| logSw: | -4.1665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.04 |
| InChI Key: | JNJFOBIEXMWLRQ-UHFFFAOYSA-N |