3-(1H-tetrazol-1-yl)phenyl 3-methylbutanoate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl 3-methylbutanoate
3-(1H-tetrazol-1-yl)phenyl 3-methylbutanoate
Compound characteristics
| Compound ID: | D453-0697 |
| Compound Name: | 3-(1H-tetrazol-1-yl)phenyl 3-methylbutanoate |
| Molecular Weight: | 246.27 |
| Molecular Formula: | C12 H14 N4 O2 |
| Smiles: | CC(C)CC(=O)Oc1cccc(c1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 2.3998 |
| logD: | 2.3998 |
| logSw: | -2.9123 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.058 |
| InChI Key: | ISWJIOCBTYYOIO-UHFFFAOYSA-N |