2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Chemical Structure Depiction of
2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
Compound characteristics
| Compound ID: | S906-0002 |
| Compound Name: | 2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid |
| Molecular Weight: | 225.24 |
| Molecular Formula: | C10 H15 N3 O3 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0512 |
| logD: | -2.3756 |
| logSw: | -0.185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.92 |
| InChI Key: | KJEZRYNBXYGUHE-SSDOTTSWSA-N |