2-(4-phenyl-4H-1,2,4-triazol-3-yl)phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-(4-phenyl-4H-1,2,4-triazol-3-yl)phenyl 4-methylbenzoate
2-(4-phenyl-4H-1,2,4-triazol-3-yl)phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8017-5968 |
| Compound Name: | 2-(4-phenyl-4H-1,2,4-triazol-3-yl)phenyl 4-methylbenzoate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C22 H17 N3 O2 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccccc1c1nncn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2243 |
| logD: | 4.2243 |
| logSw: | -4.4703 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.247 |
| InChI Key: | YGIUDSVGDLFBOX-UHFFFAOYSA-N |