4-(1H-tetrazol-1-yl)phenyl 4-tert-butylbenzoate
Chemical Structure Depiction of
4-(1H-tetrazol-1-yl)phenyl 4-tert-butylbenzoate
4-(1H-tetrazol-1-yl)phenyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | D453-0552 |
| Compound Name: | 4-(1H-tetrazol-1-yl)phenyl 4-tert-butylbenzoate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C18 H18 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)Oc1ccc(cc1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3417 |
| logD: | 4.3417 |
| logSw: | -4.3903 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.382 |
| InChI Key: | ROLBNBFYHOARRQ-UHFFFAOYSA-N |