methyl 1,5-diphenyl-1H-1,2,4-triazole-3-carboxylate
Chemical Structure Depiction of
methyl 1,5-diphenyl-1H-1,2,4-triazole-3-carboxylate
methyl 1,5-diphenyl-1H-1,2,4-triazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-3850 |
| Compound Name: | methyl 1,5-diphenyl-1H-1,2,4-triazole-3-carboxylate |
| Molecular Weight: | 279.3 |
| Molecular Formula: | C16 H13 N3 O2 |
| Smiles: | COC(c1nc(c2ccccc2)n(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3767 |
| logD: | 3.3767 |
| logSw: | -3.536 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.063 |
| InChI Key: | ZDFYKYMHTRBENP-UHFFFAOYSA-N |