(3-chlorophenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(3-chlorophenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(3-chlorophenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0372 |
| Compound Name: | (3-chlorophenyl)methyl 1-(4-bromo-3-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 420.69 |
| Molecular Formula: | C18 H15 Br Cl N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])n1c(C)c(C(=O)OCc2cccc(c2)[Cl])nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0162 |
| logD: | 5.0162 |
| logSw: | -5.1232 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.939 |
| InChI Key: | RLMGZWXOUUABHC-UHFFFAOYSA-N |