methyl N-[3-(1H-tetrazol-1-yl)benzoyl]-L-alaninate
Chemical Structure Depiction of
methyl N-[3-(1H-tetrazol-1-yl)benzoyl]-L-alaninate
methyl N-[3-(1H-tetrazol-1-yl)benzoyl]-L-alaninate
Compound characteristics
| Compound ID: | Y040-5178 |
| Compound Name: | methyl N-[3-(1H-tetrazol-1-yl)benzoyl]-L-alaninate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C12 H13 N5 O3 |
| Smiles: | C[C@@H](C(=O)OC)NC(c1cccc(c1)n1cnnn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5835 |
| logD: | 0.5835 |
| logSw: | -2.0441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.026 |
| InChI Key: | BCLVZTHYURQSHR-QMMMGPOBSA-N |