methyl N-[3-(1H-tetrazol-1-yl)benzoyl]isoleucinate
Chemical Structure Depiction of
methyl N-[3-(1H-tetrazol-1-yl)benzoyl]isoleucinate
methyl N-[3-(1H-tetrazol-1-yl)benzoyl]isoleucinate
Compound characteristics
| Compound ID: | Y042-9779 |
| Compound Name: | methyl N-[3-(1H-tetrazol-1-yl)benzoyl]isoleucinate |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C15 H19 N5 O3 |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)OC)NC(c1cccc(c1)n1cnnn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0294 |
| logD: | 2.0294 |
| logSw: | -2.6165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.215 |
| InChI Key: | LOQGOIGAFGNWAC-MFKMUULPSA-N |