phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
Chemical Structure Depiction of
phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 8016-8249 |
| Compound Name: | phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C28 H21 N3 O2 |
| Smiles: | C(c1ccc(cc1)C(=O)Oc1ccccc1)n1c(c2ccccc2)nnc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0902 |
| logD: | 6.0902 |
| logSw: | -6.1227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.765 |
| InChI Key: | SPPTYCRPSBBPTL-UHFFFAOYSA-N |