methyl N-[4-fluoro-2-(1H-tetrazol-1-yl)benzoyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-fluoro-2-(1H-tetrazol-1-yl)benzoyl]-beta-alaninate
methyl N-[4-fluoro-2-(1H-tetrazol-1-yl)benzoyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-4078 |
| Compound Name: | methyl N-[4-fluoro-2-(1H-tetrazol-1-yl)benzoyl]-beta-alaninate |
| Molecular Weight: | 293.25 |
| Molecular Formula: | C12 H12 F N5 O3 |
| Smiles: | COC(CCNC(c1ccc(cc1n1cnnn1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6814 |
| logD: | 0.6814 |
| logSw: | -2.3421 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.808 |
| InChI Key: | CXBHLYJRTWDNET-UHFFFAOYSA-N |