3-(1H-tetrazol-1-yl)phenyl 4-ethoxybenzoate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl 4-ethoxybenzoate
3-(1H-tetrazol-1-yl)phenyl 4-ethoxybenzoate
Compound characteristics
Compound ID: | D453-0661 |
Compound Name: | 3-(1H-tetrazol-1-yl)phenyl 4-ethoxybenzoate |
Molecular Weight: | 310.31 |
Molecular Formula: | C16 H14 N4 O3 |
Smiles: | CCOc1ccc(cc1)C(=O)Oc1cccc(c1)n1cnnn1 |
Stereo: | ACHIRAL |
logP: | 2.88 |
logD: | 2.88 |
logSw: | -3.2977 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 67.505 |
InChI Key: | JZQUNWRKBIFCKC-UHFFFAOYSA-N |