methyl 4-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]benzoate
methyl 4-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]benzoate
Compound characteristics
| Compound ID: | 4073-0077 |
| Compound Name: | methyl 4-[5-(4-bromophenyl)-1H-1,2,4-triazol-1-yl]benzoate |
| Molecular Weight: | 358.19 |
| Molecular Formula: | C16 H12 Br N3 O2 |
| Smiles: | COC(c1ccc(cc1)n1c(c2ccc(cc2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3857 |
| logD: | 4.3857 |
| logSw: | -4.4807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.004 |
| InChI Key: | JGVFFEAXEDDLQC-UHFFFAOYSA-N |