3-(1H-tetrazol-1-yl)phenyl 2-ethylbutanoate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl 2-ethylbutanoate
3-(1H-tetrazol-1-yl)phenyl 2-ethylbutanoate
Compound characteristics
| Compound ID: | D453-0721 |
| Compound Name: | 3-(1H-tetrazol-1-yl)phenyl 2-ethylbutanoate |
| Molecular Weight: | 260.29 |
| Molecular Formula: | C13 H16 N4 O2 |
| Smiles: | CCC(CC)C(=O)Oc1cccc(c1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9345 |
| logD: | 2.9345 |
| logSw: | -3.1875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.653 |
| InChI Key: | JZYFISXVEHXTGC-UHFFFAOYSA-N |