3-(1H-tetrazol-1-yl)phenyl 4-(2-methylpropoxy)benzoate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl 4-(2-methylpropoxy)benzoate
3-(1H-tetrazol-1-yl)phenyl 4-(2-methylpropoxy)benzoate
Compound characteristics
| Compound ID: | D453-0680 |
| Compound Name: | 3-(1H-tetrazol-1-yl)phenyl 4-(2-methylpropoxy)benzoate |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | CC(C)COc1ccc(cc1)C(=O)Oc1cccc(c1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7934 |
| logD: | 3.7934 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.881 |
| InChI Key: | SQXYVJQDUMBYMO-UHFFFAOYSA-N |