(2-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(2-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0380 |
| Compound Name: | (2-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C19 H18 Br N3 O2 |
| Smiles: | Cc1ccccc1COC(c1c(C)n(c2ccc(c(C)c2)[Br])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8913 |
| logD: | 4.8913 |
| logSw: | -4.7062 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | NKCLJZBEHRYNSI-UHFFFAOYSA-N |