2-(3-methyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-(3-methyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-4-yl)benzoic acid
2-(3-methyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8018-9286 |
| Compound Name: | 2-(3-methyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | CC(C)c1ccc(C)cc1OCc1nnc(C)n1c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6304 |
| logD: | 1.5242 |
| logSw: | -3.8726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.848 |
| InChI Key: | CVHNXERKCXZAQL-UHFFFAOYSA-N |