methyl 2-{2-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetamido}benzoate
methyl 2-{2-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8016-4319 |
| Compound Name: | methyl 2-{2-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]acetamido}benzoate |
| Molecular Weight: | 381.35 |
| Molecular Formula: | C18 H15 N5 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1nc(c2ccc3c(c2)OCO3)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4441 |
| logD: | 2.4368 |
| logSw: | -3.1558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.082 |
| InChI Key: | NQBQGVYOOARQHP-UHFFFAOYSA-N |