(3-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(3-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(3-methylphenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0374 |
| Compound Name: | (3-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: | Cc1cccc(COC(c2c(C)n(c3ccc(c(C)c3)[Br])nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0073 |
| logD: | 5.0073 |
| logSw: | -4.8933 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | PZMSUHUIQXYANB-UHFFFAOYSA-N |